2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C30H27N3O4S — CID 28637305

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H27N3O4S/c34-29-16-9-21-32(29)25-19-17-24(18-20-25)31-30(35)27-14-7-8-15-28(27)33(22-23-10-3-1-4-11-23)38(36,37)26-12-5-2-6-13-26/h1-8,10-15,17-20H,9,16,21-22H2,(H,31,35)
InChIKeyGHEQDBKTCFEZIC-UHFFFAOYSA-N
MW525.63 g/mol
LogP5.46
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 28637305) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID28637305
Molecular FormulaC30H27N3O4S
Molecular Weight525.63 g/mol
Exact Mass525.17
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H27N3O4S/c34-29-16-9-21-32(29)25-19-17-24(18-20-25)31-30(35)27-14-7-8-15-28(27)33(22-23-10-3-1-4-11-23)38(36,37)26-12-5-2-6-13-26/h1-8,10-15,17-20H,9,16,21-22H2,(H,31,35)
InChIKeyGHEQDBKTCFEZIC-UHFFFAOYSA-N
XLogP5.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519104
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92673763
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30305116
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-propylsulfonylbenzamide
CID 39942601
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 28637305) is 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is GHEQDBKTCFEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S/c34-29-16-9-21-32(29)25-19-17-24(18-20-25)31-30(35)27-14-7-8-15-28(27)33(22-23-10-3-1-4-11-23)38(36,37)26-12-5-2-6-13-26/h1-8,10-15,17-20H,9,16,21-22H2,(H,31,35).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 525.63 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 28637305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).