3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide

C24H31FN4O3S — CID 26880672

IUPAC3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCCn1c(CCC(=O)NCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C24H31FN4O3S/c1-4-15-29-22-12-11-20(33(31,32)28(5-2)6-3)16-21(22)27-23(29)13-14-24(30)26-17-18-7-9-19(25)10-8-18/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
InChIKeyZUPPRTGKYHBUHW-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.86
Rot. Bonds11

About 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 26880672) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID26880672
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCCn1c(CCC(=O)NCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C24H31FN4O3S/c1-4-15-29-22-12-11-20(33(31,32)28(5-2)6-3)16-21(22)27-23(29)13-14-24(30)26-17-18-7-9-19(25)10-8-18/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
InChIKeyZUPPRTGKYHBUHW-UHFFFAOYSA-N
XLogP3.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 34368790
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739
N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 39258133
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53064559
N-[2-(4-fluorophenyl)ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24635673
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005366
2-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide
CID 46529218
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 40601283
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 35613656

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 26880672) is 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide is CCCn1c(CCC(=O)NCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is ZUPPRTGKYHBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-4-15-29-22-12-11-20(33(31,32)28(5-2)6-3)16-21(22)27-23(29)13-14-24(30)26-17-18-7-9-19(25)10-8-18/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 474.60 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 26880672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).