4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide

C28H26N2O3S — CID 982641

IUPAC4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C28H26N2O3S/c1-21-12-14-22(15-13-21)20-30(34(2,32)33)25-18-16-24(17-19-25)28(31)29-27-11-7-6-10-26(27)23-8-4-3-5-9-23/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyNBZRYHVCTURQAJ-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.88
Rot. Bonds7

About 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide

4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide (PubChem CID 982641) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
PubChem CID982641
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C28H26N2O3S/c1-21-12-14-22(15-13-21)20-30(34(2,32)33)25-18-16-24(17-19-25)28(31)29-27-11-7-6-10-26(27)23-8-4-3-5-9-23/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyNBZRYHVCTURQAJ-UHFFFAOYSA-N
XLogP5.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
methyl 3-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-2-methylbenzoate
CID 126273538
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide (CID 982641) is 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide is Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide?
The InChIKey is NBZRYHVCTURQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-21-12-14-22(15-13-21)20-30(34(2,32)33)25-18-16-24(17-19-25)28(31)29-27-11-7-6-10-26(27)23-8-4-3-5-9-23/h3-19H,20H2,1-2H3,(H,29,31).
What are the key properties of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide?
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide has a molecular weight of 470.59 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 982641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).