4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide

C27H24N2O3S — CID 1363161

IUPAC4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c1-33(31,32)29(26-10-6-3-7-11-26)20-21-12-14-24(15-13-21)27(30)28-25-18-16-23(17-19-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3,(H,28,30)
InChIKeyGIISPMKHYZPCMV-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.57
Rot. Bonds7

About 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide

4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide (PubChem CID 1363161) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
PubChem CID1363161
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC Name4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c1-33(31,32)29(26-10-6-3-7-11-26)20-21-12-14-24(15-13-21)27(30)28-25-18-16-23(17-19-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3,(H,28,30)
InChIKeyGIISPMKHYZPCMV-UHFFFAOYSA-N
XLogP5.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(N-methylsulfonylanilino)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28589870
N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1295864
4-[(N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502369
4-[benzyl(methylsulfonyl)amino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28589827
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
N-[4-(1-adamantyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 126031363
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
4-[benzyl(methylsulfonyl)amino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880749
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide (CID 1363161) is 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide?
The InChIKey is GIISPMKHYZPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-33(31,32)29(26-10-6-3-7-11-26)20-21-12-14-24(15-13-21)27(30)28-25-18-16-23(17-19-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3,(H,28,30).
What are the key properties of 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide?
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide has a molecular weight of 456.57 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 1363161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).