2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide

C32H34N2O4S — CID 99644735

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O4S/c1-24(2)22-30(26-14-8-5-9-15-26)33-32(35)29-16-10-11-17-31(29)34(23-25-12-6-4-7-13-25)39(36,37)28-20-18-27(38-3)19-21-28/h4-21,24,30H,22-23H2,1-3H3,(H,33,35)/t30-/m0/s1
InChIKeyKWQVYOPWMBBPEX-PMERELPUSA-N
MW542.70 g/mol
LogP6.61
Rot. Bonds11

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide (PubChem CID 99644735) has the molecular formula C32H34N2O4S and a molecular weight of 542.70 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
PubChem CID99644735
Molecular FormulaC32H34N2O4S
Molecular Weight542.70 g/mol
Exact Mass542.22
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O4S/c1-24(2)22-30(26-14-8-5-9-15-26)33-32(35)29-16-10-11-17-31(29)34(23-25-12-6-4-7-13-25)39(36,37)28-20-18-27(38-3)19-21-28/h4-21,24,30H,22-23H2,1-3H3,(H,33,35)/t30-/m0/s1
InChIKeyKWQVYOPWMBBPEX-PMERELPUSA-N
XLogP6.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46764222
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(1-phenylpropyl)benzamide
CID 43876399
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-phenylpropyl)benzamide
CID 133185362
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 2194165
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43876590
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30397252
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 99939670
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 21372381
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide (CID 99644735) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
The InChIKey is KWQVYOPWMBBPEX-PMERELPUSA-N. The full InChI is InChI=1S/C32H34N2O4S/c1-24(2)22-30(26-14-8-5-9-15-26)33-32(35)29-16-10-11-17-31(29)34(23-25-12-6-4-7-13-25)39(36,37)28-20-18-27(38-3)19-21-28/h4-21,24,30H,22-23H2,1-3H3,(H,33,35)/t30-/m0/s1.
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide has a molecular weight of 542.70 g/mol, XLogP of 6.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide is sourced from PubChem (CID 99644735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).