3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C20H24N4O4S — CID 26017530

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O4S/c1-3-24(4-2)29(27,28)16-9-5-14(6-10-16)7-12-19(25)21-15-8-11-17-18(13-15)23-20(26)22-17/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyJHSRBKZZDCPHLW-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.46
Rot. Bonds8

About 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 26017530) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID26017530
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O4S/c1-3-24(4-2)29(27,28)16-9-5-14(6-10-16)7-12-19(25)21-15-8-11-17-18(13-15)23-20(26)22-17/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyJHSRBKZZDCPHLW-UHFFFAOYSA-N
XLogP2.46
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
5-(diethylsulfamoyl)-2-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26700730
3-(diethylsulfamoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2326018
4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide
CID 26683095
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009516
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]phenyl]propanamide
CID 50796979
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 26017530) is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is JHSRBKZZDCPHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-3-24(4-2)29(27,28)16-9-5-14(6-10-16)7-12-19(25)21-15-8-11-17-18(13-15)23-20(26)22-17/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,21,25)(H2,22,23,26).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 416.50 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 26017530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).