N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide

C30H30N2O3S — CID 10391222

IUPACN-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(CCc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C30H30N2O3S/c33-30(31-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27)28(22-21-24-13-5-1-6-14-24)32-36(34,35)23-25-15-7-2-8-16-25/h1-20,28-29,32H,21-23H2,(H,31,33)
InChIKeyOSLHKFYWTAGFCU-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.01
Rot. Bonds11

About N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide

N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide (PubChem CID 10391222) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide
PubChem CID10391222
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC NameN-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(CCc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C30H30N2O3S/c33-30(31-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27)28(22-21-24-13-5-1-6-14-24)32-36(34,35)23-25-15-7-2-8-16-25/h1-20,28-29,32H,21-23H2,(H,31,33)
InChIKeyOSLHKFYWTAGFCU-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide
CID 24953669
(2R)-2-(benzylsulfonylamino)-N-[(2R)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-4-pyridin-4-ylbutan-2-yl]-4-phenylbutanamide
CID 24995153
2-[[2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-4-phenylbutanamide
CID 72946951
benzyl (4S)-5-[[4-[(acetyloxyamino)-aminomethyl]phenyl]methylamino]-4-[[(2R)-2-(benzylsulfonylamino)-4-phenylbutanoyl]amino]-5-oxopentanoate
CID 88899331
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
(2S)-2-[[2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]propanoic acid
CID 71198862
N-[(2S,8S)-8-(benzylsulfonylamino)-4,6-difluoro-3,5,7-trioxo-1,9-diphenylnonan-2-yl]-1-phenylmethanesulfonamide
CID 171616798
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
CID 15692489

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide?
The IUPAC name of N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide (CID 10391222) is N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide.
What is the SMILES notation for N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide?
The canonical SMILES for N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide is O=C(NC(c1ccccc1)c1ccccc1)C(CCc1ccccc1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide?
The InChIKey is OSLHKFYWTAGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3S/c33-30(31-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27)28(22-21-24-13-5-1-6-14-24)32-36(34,35)23-25-15-7-2-8-16-25/h1-20,28-29,32H,21-23H2,(H,31,33).
What are the key properties of N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide?
N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide has a molecular weight of 498.65 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(benzylsulfonylamino)-4-phenylbutanamide is sourced from PubChem (CID 10391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).