2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C26H26ClN3O4S — CID 30206728

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30206728) has the molecular formula C26H26ClN3O4S and a molecular weight of 512.03 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• PubChem CID: 30206728
• Molecular Formula: C26H26ClN3O4S
• Molecular Weight: 512.03 g/mol
• Exact Mass: 511.13
• IUPAC Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
• SMILES: Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1N1CCCC1=O
• InChI: InChI=1S/C26H26ClN3O4S/c1-18-10-12-21(16-24(18)29-14-6-9-26(29)32)28-25(31)17-30(23-13-11-20(27)15-19(23)2)35(33,34)22-7-4-3-5-8-22/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3,(H,28,31)
• InChIKey: RZNBMYNFEUOKAI-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.03
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30206728) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1N1CCCC1=O.

What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

The InChIKey is RZNBMYNFEUOKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4S/c1-18-10-12-21(16-24(18)29-14-6-9-26(29)32)28-25(31)17-30(23-13-11-20(27)15-19(23)2)35(33,34)22-7-4-3-5-8-22/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3,(H,28,31).

What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 512.03 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30206728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).