N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide

C35H32N2O3S — CID 139791661

IUPACN-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide
SMILESCc1cccc(-c2ccccc2S(=O)(=O)NC(=O)c2cccc(C(NC(C)c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C35H32N2O3S/c1-25-13-11-18-29(23-25)32-21-9-10-22-33(32)41(39,40)37-35(38)31-20-12-19-30(24-31)34(28-16-7-4-8-17-28)36-26(2)27-14-5-3-6-15-27/h3-24,26,34,36H,1-2H3,(H,37,38)
InChIKeyLCSBZSLBLJBFNP-UHFFFAOYSA-N
MW560.72 g/mol
LogP7.22
Rot. Bonds9

About N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide

N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide (PubChem CID 139791661) has the molecular formula C35H32N2O3S and a molecular weight of 560.72 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide
PubChem CID139791661
Molecular FormulaC35H32N2O3S
Molecular Weight560.72 g/mol
Exact Mass560.21
IUPAC NameN-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide
SMILESCc1cccc(-c2ccccc2S(=O)(=O)NC(=O)c2cccc(C(NC(C)c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C35H32N2O3S/c1-25-13-11-18-29(23-25)32-21-9-10-22-33(32)41(39,40)37-35(38)31-20-12-19-30(24-31)34(28-16-7-4-8-17-28)36-26(2)27-14-5-3-6-15-27/h3-24,26,34,36H,1-2H3,(H,37,38)
InChIKeyLCSBZSLBLJBFNP-UHFFFAOYSA-N
XLogP7.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
3-[3-(3-methylphenyl)phenyl]butanoic acid
CID 82543319
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-methyl-N-methylsulfonylbenzamide
CID 18331681
methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
CID 139837903
ethyl 3-[(4-methoxyphenyl)-[[(1R)-1-phenylethyl]amino]methyl]benzoate
CID 139837900
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine
CID 142769620
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide?
The IUPAC name of N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide (CID 139791661) is N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide.
What is the SMILES notation for N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide?
The canonical SMILES for N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide is Cc1cccc(-c2ccccc2S(=O)(=O)NC(=O)c2cccc(C(NC(C)c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide?
The InChIKey is LCSBZSLBLJBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O3S/c1-25-13-11-18-29(23-25)32-21-9-10-22-33(32)41(39,40)37-35(38)31-20-12-19-30(24-31)34(28-16-7-4-8-17-28)36-26(2)27-14-5-3-6-15-27/h3-24,26,34,36H,1-2H3,(H,37,38).
What are the key properties of N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide?
N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide has a molecular weight of 560.72 g/mol, XLogP of 7.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)phenyl]sulfonyl-3-[phenyl-(1-phenylethylamino)methyl]benzamide is sourced from PubChem (CID 139791661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).