2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C21H22ClN3O5S — CID 30601405

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-14(26)15-5-8-17(9-6-15)31(29,30)24(2)13-20(27)23-16-7-10-19(18(22)12-16)25-11-3-4-21(25)28/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,27)
InChIKeyKROTXJQXILEILC-UHFFFAOYSA-N
MW463.94 g/mol
LogP2.93
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30601405) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30601405
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-14(26)15-5-8-17(9-6-15)31(29,30)24(2)13-20(27)23-16-7-10-19(18(22)12-16)25-11-3-4-21(25)28/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,27)
InChIKeyKROTXJQXILEILC-UHFFFAOYSA-N
XLogP2.93
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16603036
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
1-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24602844
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4845327
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30216508
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 46699695
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
CID 79194755
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43892764
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30601405) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is KROTXJQXILEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-14(26)15-5-8-17(9-6-15)31(29,30)24(2)13-20(27)23-16-7-10-19(18(22)12-16)25-11-3-4-21(25)28/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,27).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 463.94 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30601405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).