N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C29H27N3O4S — CID 19062457

IUPACN-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2C)cc1
InChIInChI=1S/C29H27N3O4S/c1-20-15-17-23(18-16-20)37(35,36)32-26-14-8-12-24(21(26)2)29(34)31-27-13-7-6-11-25(27)28(33)30-19-22-9-4-3-5-10-22/h3-18,32H,19H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyZGBOGCDSYRPCJT-UHFFFAOYSA-N
MW513.62 g/mol
LogP5.29
Rot. Bonds8

About N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062457) has the molecular formula C29H27N3O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062457
Molecular FormulaC29H27N3O4S
Molecular Weight513.62 g/mol
Exact Mass513.17
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2C)cc1
InChIInChI=1S/C29H27N3O4S/c1-20-15-17-23(18-16-20)37(35,36)32-26-14-8-12-24(21(26)2)29(34)31-27-13-7-6-11-25(27)28(33)30-19-22-9-4-3-5-10-22/h3-18,32H,19H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyZGBOGCDSYRPCJT-UHFFFAOYSA-N
XLogP5.29
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 100558623

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062457) is N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2C)cc1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZGBOGCDSYRPCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4S/c1-20-15-17-23(18-16-20)37(35,36)32-26-14-8-12-24(21(26)2)29(34)31-27-13-7-6-11-25(27)28(33)30-19-22-9-4-3-5-10-22/h3-18,32H,19H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 513.62 g/mol, XLogP of 5.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).