3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C25H26N4O5S — CID 24559430

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21
InChIInChI=1S/C25H26N4O5S/c1-3-28-22-9-4-5-10-23(22)29(25(28)31)16-15-24(30)26-19-7-6-8-21(17-19)35(32,33)27-18-11-13-20(34-2)14-12-18/h4-14,17,27H,3,15-16H2,1-2H3,(H,26,30)
InChIKeyVRQFNCPUZOBJGJ-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.66
Rot. Bonds9

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 24559430) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID24559430
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21
InChIInChI=1S/C25H26N4O5S/c1-3-28-22-9-4-5-10-23(22)29(25(28)31)16-15-24(30)26-19-7-6-8-21(17-19)35(32,33)27-18-11-13-20(34-2)14-12-18/h4-14,17,27H,3,15-16H2,1-2H3,(H,26,30)
InChIKeyVRQFNCPUZOBJGJ-UHFFFAOYSA-N
XLogP3.66
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18168699
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3,3-dimethylbutanamide
CID 38765461
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 24639796
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 3595670
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
CID 30285225
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
CID 43035683

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 24559430) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is CCn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is VRQFNCPUZOBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-3-28-22-9-4-5-10-23(22)29(25(28)31)16-15-24(30)26-19-7-6-8-21(17-19)35(32,33)27-18-11-13-20(34-2)14-12-18/h4-14,17,27H,3,15-16H2,1-2H3,(H,26,30).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 494.57 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 24559430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).