CAS 50509-09-6

1 2D Structure

CAS 50509-09-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide

2.1.2 InChI

InChI=1S/C15H15ClN2O2S/c1-2-9-7-11(15(21-9)18-13(19)8-17)14(20)10-5-3-4-6-12(10)16/h3-7H,2,8,17H2,1H3,(H,18,19)

2.1.3 InChI Key

IZDCQDAHLOWCSG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=CC(=C(S1)NC(=O)CN)C(=O)C2=CC=CC=C2Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 50509-09-6

2. 2-amino-n-[3-(2-chlorobenzoyl)-5-ethyl-2-thienyl]-acetamide

3. 2-(aminoacetylamino)-3-(o-chlorobenzoyl)-5-ethylthiophene

4. 2-amino-n-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide

5. Dtxsid201192721

6. Mfcd09836326

7. Zinc39247000

8. Akos005067514

9. Ac-33207

10. Ds-19505

11. Cs-0152520

12. E74011

13. A918381

14. 2-(aminoacetamido)-3-(2-chlorobenzoyl)-5-ethylthiophene

15. 2-amino-n-[3-(2-chlorobenzoyl)-5-ethyl-2-thienyl]acetamide

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₅ClN₂O₂S
Molecular Weight	322.8 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	322.0542766 g/mol
Monoisotopic Mass	322.0542766 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	394
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

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