2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H28N4O4S — CID 27285530

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21
InChIInChI=1S/C23H28N4O4S/c1-2-14-26-20-8-4-5-9-21(20)27(23(26)29)17-22(28)24-18-10-12-19(13-11-18)32(30,31)25-15-6-3-7-16-25/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28)
InChIKeyDIMWKZJRAMKTGK-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.03
Rot. Bonds7

About 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 27285530) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID27285530
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21
InChIInChI=1S/C23H28N4O4S/c1-2-14-26-20-8-4-5-9-21(20)27(23(26)29)17-22(28)24-18-10-12-19(13-11-18)32(30,31)25-15-6-3-7-16-25/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28)
InChIKeyDIMWKZJRAMKTGK-UHFFFAOYSA-N
XLogP3.03
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)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-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27287862
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662712
N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24555151
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7819713
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 27021666
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41214600
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 39999738
N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 34553635
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 27285530) is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is CCCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DIMWKZJRAMKTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-2-14-26-20-8-4-5-9-21(20)27(23(26)29)17-22(28)24-18-10-12-19(13-11-18)32(30,31)25-15-6-3-7-16-25/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 456.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 27285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).