N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

C27H30N4O3S — CID 4876131

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

About N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (PubChem CID 4876131) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
PubChem CID4876131
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCn1c(CCC(=O)NC(c2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C27H30N4O3S/c1-4-31-24-16-15-22(35(33,34)30(2)3)19-23(24)28-25(31)17-18-26(32)29-27(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,19,27H,4,17-18H2,1-3H3,(H,29,32)
InChIKeyPHZFMBIDUOMULS-UHFFFAOYSA-N
XLogP4.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 45353825
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide
CID 43031448
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 46797564
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
N-[(S)-cyano-(4-fluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 41029991
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 55450745
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (CID 4876131) is N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is CCn1c(CCC(=O)NC(c2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The InChIKey is PHZFMBIDUOMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-4-31-24-16-15-22(35(33,34)30(2)3)19-23(24)28-25(31)17-18-26(32)29-27(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,19,27H,4,17-18H2,1-3H3,(H,29,32).
What are the key properties of N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide has a molecular weight of 490.63 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 4876131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).