2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide

C27H28N4O4S — CID 42792950

IUPAC2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESO=C(Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H28N4O4S/c32-26(28-22-15-17-29(18-16-22)19-21-9-3-1-4-10-21)20-30-24-13-7-8-14-25(24)31(27(30)33)36(34,35)23-11-5-2-6-12-23/h1-14,22H,15-20H2,(H,28,32)
InChIKeyGCSPGTYAWKCEHW-UHFFFAOYSA-N
MW504.61 g/mol
LogP2.82
Rot. Bonds7

About 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide

2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide (PubChem CID 42792950) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
PubChem CID42792950
Molecular FormulaC27H28N4O4S
Molecular Weight504.61 g/mol
Exact Mass504.18
IUPAC Name2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESO=C(Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H28N4O4S/c32-26(28-22-15-17-29(18-16-22)19-21-9-3-1-4-10-21)20-30-24-13-7-8-14-25(24)31(27(30)33)36(34,35)23-11-5-2-6-12-23/h1-14,22H,15-20H2,(H,28,32)
InChIKeyGCSPGTYAWKCEHW-UHFFFAOYSA-N
XLogP2.82
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)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-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18156454
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazol-2-one
CID 42792778
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide (CID 42792950) is 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide is O=C(Cn1c(=O)n(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide?
The InChIKey is GCSPGTYAWKCEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S/c32-26(28-22-15-17-29(18-16-22)19-21-9-3-1-4-10-21)20-30-24-13-7-8-14-25(24)31(27(30)33)36(34,35)23-11-5-2-6-12-23/h1-14,22H,15-20H2,(H,28,32).
What are the key properties of 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide?
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide has a molecular weight of 504.61 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide is sourced from PubChem (CID 42792950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).