N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide

C27H30N4O3S — CID 29358517

IUPACN-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
SMILESCCn1c(CCC(=O)N(Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C27H30N4O3S/c1-4-30-25-16-15-23(35(33,34)29(2)3)19-24(25)28-26(30)17-18-27(32)31(22-13-9-6-10-14-22)20-21-11-7-5-8-12-21/h5-16,19H,4,17-18,20H2,1-3H3
InChIKeyUQCOMXWZLPJEBX-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.47
Rot. Bonds9

About N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide

N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide (PubChem CID 29358517) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
PubChem CID29358517
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
SMILESCCn1c(CCC(=O)N(Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C27H30N4O3S/c1-4-30-25-16-15-23(35(33,34)29(2)3)19-24(25)28-26(30)17-18-27(32)31(22-13-9-6-10-14-22)20-21-11-7-5-8-12-21/h5-16,19H,4,17-18,20H2,1-3H3
InChIKeyUQCOMXWZLPJEBX-UHFFFAOYSA-N
XLogP4.47
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-ethyl-N-(4-fluorophenyl)propanamide
CID 30997656
N-butan-2-yl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 75807833
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4820473
N-(1-benzylpiperidin-4-yl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 24559496
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 39753156
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 30235638

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide (CID 29358517) is N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide is CCn1c(CCC(=O)N(Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide?
The InChIKey is UQCOMXWZLPJEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-4-30-25-16-15-23(35(33,34)29(2)3)19-24(25)28-26(30)17-18-27(32)31(22-13-9-6-10-14-22)20-21-11-7-5-8-12-21/h5-16,19H,4,17-18,20H2,1-3H3.
What are the key properties of N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide?
N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide has a molecular weight of 490.63 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide is sourced from PubChem (CID 29358517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).