3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide

C25H26N4O4S — CID 24638182

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H26N4O4S/c1-2-17-28-22-10-6-7-11-23(22)29(25(28)31)18-16-24(30)26-19-12-14-21(15-13-19)34(32,33)27-20-8-4-3-5-9-20/h3-15,27H,2,16-18H2,1H3,(H,26,30)
InChIKeyWZJBEBFSBXZWJX-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.04
Rot. Bonds9

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide (PubChem CID 24638182) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
PubChem CID24638182
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H26N4O4S/c1-2-17-28-22-10-6-7-11-23(22)29(25(28)31)18-16-24(30)26-19-12-14-21(15-13-19)34(32,33)27-20-8-4-3-5-9-20/h3-15,27H,2,16-18H2,1H3,(H,26,30)
InChIKeyWZJBEBFSBXZWJX-UHFFFAOYSA-N
XLogP4.04
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
CID 43035683
methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
CID 55709096
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38467641
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide (CID 24638182) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide?
The InChIKey is WZJBEBFSBXZWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-2-17-28-22-10-6-7-11-23(22)29(25(28)31)18-16-24(30)26-19-12-14-21(15-13-19)34(32,33)27-20-8-4-3-5-9-20/h3-15,27H,2,16-18H2,1H3,(H,26,30).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide has a molecular weight of 478.57 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).