4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide

C29H28N2O3S — CID 132617346

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-21-9-13-24(14-10-21)28(23-7-5-4-6-8-23)30-29(32)25-15-17-26(18-16-25)31(3)35(33,34)27-19-11-22(2)12-20-27/h4-20,28H,1-3H3,(H,30,32)
InChIKeyXWHCYRFYAMEAHQ-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.65
Rot. Bonds7

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 132617346) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID132617346
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-21-9-13-24(14-10-21)28(23-7-5-4-6-8-23)30-29(32)25-15-17-26(18-16-25)31(3)35(33,34)27-19-11-22(2)12-20-27/h4-20,28H,1-3H3,(H,30,32)
InChIKeyXWHCYRFYAMEAHQ-UHFFFAOYSA-N
XLogP5.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55405944
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578950
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[1-(4-ethylphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133166361
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
CID 21130775
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide (CID 132617346) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc(C(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is XWHCYRFYAMEAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-21-9-13-24(14-10-21)28(23-7-5-4-6-8-23)30-29(32)25-15-17-26(18-16-25)31(3)35(33,34)27-19-11-22(2)12-20-27/h4-20,28H,1-3H3,(H,30,32).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 484.62 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 132617346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).