1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

2.1.2 InChI

InChI=1S/C20H23ClN2O3S/c1-4-25-16-7-6-13(10-17(16)26-5-2)8-9-22-20(24)15-11-18-14(23(15)3)12-19(21)27-18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)

2.1.3 InChI Key

DGNXYXASQJMULD-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 902523-58-4

2. Ml261

3. Ml-261

4. 2-chloro-n-[2-(3,4-diethoxyphenyl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

5. 2-chloro-n-[2-(3,4-diethoxy Phenyl)ethyl]-4-methylthieno [3,2-b]pyrrole-5-carboxamide

6. Smr000130881

7. Mls000520470

8. Mls003874039

9. Mls003880357

10. Orb1688010

11. Chembl1303036

12. Schembl31310925

13. Hms2358f11

14. Ex-a9525

15. Mfcd14786336

16. Akos001504202

17. Ncgc00386867-04

18. As-16623

19. Da-75618

20. Hy-111179

21. Cs-0034537

22. F82202

23. Mls-0079804.0001

24. Mls-0079804.0002

25. 2-chloro-n-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide

2.3 Create Date

2006-10-20

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₃ClN₂O₃S
Molecular Weight	406.9 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	80.7
Heavy Atom Count	27
Formal Charge	0
Complexity	498
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide