2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H23N3O4S — CID 31716980

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-8-10-18(11-9-15)28(26,27)22(2)14-19(24)21-16-5-3-6-17(13-16)23-12-4-7-20(23)25/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,21,24)
InChIKeyLJMYBYLCHXAQKN-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.38
Rot. Bonds6

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 31716980) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID31716980
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-8-10-18(11-9-15)28(26,27)22(2)14-19(24)21-16-5-3-6-17(13-16)23-12-4-7-20(23)25/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,21,24)
InChIKeyLJMYBYLCHXAQKN-UHFFFAOYSA-N
XLogP2.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34062206
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
2-[2-methylpropyl(propan-2-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36963101
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30601405
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30230108

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 31716980) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is LJMYBYLCHXAQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-8-10-18(11-9-15)28(26,27)22(2)14-19(24)21-16-5-3-6-17(13-16)23-12-4-7-20(23)25/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,21,24).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 31716980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).