N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide

C24H29N5O3S — CID 55595289

IUPACN-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C
InChIInChI=1S/C24H29N5O3S/c1-5-14-29(17-19-8-6-18(16-25)7-9-19)24(30)13-12-23-26-21-15-20(33(31,32)27(2)3)10-11-22(21)28(23)4/h6-11,15H,5,12-14,17H2,1-4H3
InChIKeyHFQALGHKMDBUEB-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.07
Rot. Bonds9

About N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide

N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide (PubChem CID 55595289) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide
PubChem CID55595289
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C
InChIInChI=1S/C24H29N5O3S/c1-5-14-29(17-19-8-6-18(16-25)7-9-19)24(30)13-12-23-26-21-15-20(33(31,32)27(2)3)10-11-22(21)28(23)4/h6-11,15H,5,12-14,17H2,1-4H3
InChIKeyHFQALGHKMDBUEB-UHFFFAOYSA-N
XLogP3.07
TPSA99.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 34907237
N-[(3,4-difluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 55558387
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
ethyl 4-(N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)butanoate
CID 23302243
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 27780653
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
CID 29358517
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide (CID 55595289) is N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide?
The InChIKey is HFQALGHKMDBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-5-14-29(17-19-8-6-18(16-25)7-9-19)24(30)13-12-23-26-21-15-20(33(31,32)27(2)3)10-11-22(21)28(23)4/h6-11,15H,5,12-14,17H2,1-4H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide?
N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide has a molecular weight of 467.60 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-propylpropanamide is sourced from PubChem (CID 55595289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).