2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C27H27N3O4S — CID 25467498

IUPAC2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C27H27N3O4S/c31-26(28-24-14-7-8-15-25(24)30-18-9-16-27(30)32)21-29(20-23-12-5-2-6-13-23)35(33,34)19-17-22-10-3-1-4-11-22/h1-8,10-15,17,19H,9,16,18,20-21H2,(H,28,31)/b19-17+
InChIKeyMVFVYYYPZGEWFI-HTXNQAPBSA-N
MW489.60 g/mol
LogP4.25
Rot. Bonds9

About 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 25467498) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID25467498
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C27H27N3O4S/c31-26(28-24-14-7-8-15-25(24)30-18-9-16-27(30)32)21-29(20-23-12-5-2-6-13-23)35(33,34)19-17-22-10-3-1-4-11-22/h1-8,10-15,17,19H,9,16,18,20-21H2,(H,28,31)/b19-17+
InChIKeyMVFVYYYPZGEWFI-HTXNQAPBSA-N
XLogP4.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(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

2-[benzyl(2-phenylethenylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4832872
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-[cyclopropyl-(4-methylcyclohexyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55827499
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 52678828
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41374088
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 86855910

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 25467498) is 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is MVFVYYYPZGEWFI-HTXNQAPBSA-N. The full InChI is InChI=1S/C27H27N3O4S/c31-26(28-24-14-7-8-15-25(24)30-18-9-16-27(30)32)21-29(20-23-12-5-2-6-13-23)35(33,34)19-17-22-10-3-1-4-11-22/h1-8,10-15,17,19H,9,16,18,20-21H2,(H,28,31)/b19-17+.
What are the key properties of 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 25467498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).