1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide

2.1.2 InChI

InChI=1S/C23H31N3O3S/c1-16-7-5-6-8-21(16)23(27)24-22-10-9-20(15-17(22)2)30(28,29)25-18(3)19-11-13-26(4)14-12-19/h5-10,15,18-19,25H,11-14H2,1-4H3,(H,24,27)/t18-/m1/s1

2.1.3 InChI Key

PDAOEKSLYKFTKF-GOSISDBHSA-N

2.2 Other Identifiers

2.2.1 UNII

29C3JBY7XM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ipg7236

2. 2756350-91-9

3. Chembl5407071

4. Ipg-7236

5. 29c3jby7xm

6. Orb1944344

7. Schembl24170538

8. Glxc-27140

9. Ex-a8789

10. Bdbm50632674

11. Da-64483

12. Sy347266

13. Hy-153670

14. Cs-0834366

15. H39397

16. (r)-2-methyl-n-[2-methyl-4-[n-[1-(1-methyl-4-piperidyl)ethyl]sulfamoyl]phenyl]benzamide

17. 2-methyl-n-[2-methyl-4-[[(1r)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide

18. Benzamide, 2-methyl-n-[2-methyl-4-[[[(1r)-1-(1-methyl-4-piperidinyl)ethyl]amino]sulfonyl]phenyl]-

2.4 Create Date

2023-03-21

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₁N₃O₃S
Molecular Weight	429.6 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	86.9
Heavy Atom Count	30
Formal Charge	0
Complexity	670
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

IPG7236

IPG7236

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