N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide

C23H24N2O3S — CID 18104745

IUPACN-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-24-29(27,28)21-15-12-18(13-16-21)14-17-22(26)25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16,23-24H,14,17H2,1H3,(H,25,26)
InChIKeyFBYTUQFTWUXZHB-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.43
Rot. Bonds8

About N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide

N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 18104745) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID18104745
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-24-29(27,28)21-15-12-18(13-16-21)14-17-22(26)25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16,23-24H,14,17H2,1H3,(H,25,26)
InChIKeyFBYTUQFTWUXZHB-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
CID 51332572
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
[2-(1,2-diphenylethylamino)-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55375109

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 18104745) is N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is FBYTUQFTWUXZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-24-29(27,28)21-15-12-18(13-16-21)14-17-22(26)25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16,23-24H,14,17H2,1H3,(H,25,26).
What are the key properties of N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 18104745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).