N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide

C30H26N2O3S — CID 41126334

IUPACN-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
SMILESCSc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C30H26N2O3S/c1-20-12-17-27(25(18-20)29(34)22-8-4-3-5-9-22)32-30(35)24-10-6-7-11-26(24)31-28(33)19-21-13-15-23(36-2)16-14-21/h3-18H,19H2,1-2H3,(H,31,33)(H,32,35)
InChIKeyTYZPOMBSUDCKDH-UHFFFAOYSA-N
MW494.62 g/mol
LogP6.38
Rot. Bonds8

About N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide

N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide (PubChem CID 41126334) has the molecular formula C30H26N2O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
PubChem CID41126334
Molecular FormulaC30H26N2O3S
Molecular Weight494.62 g/mol
Exact Mass494.17
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
SMILESCSc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C30H26N2O3S/c1-20-12-17-27(25(18-20)29(34)22-8-4-3-5-9-22)32-30(35)24-10-6-7-11-26(24)31-28(33)19-21-13-15-23(36-2)16-14-21/h3-18H,19H2,1-2H3,(H,31,33)(H,32,35)
InChIKeyTYZPOMBSUDCKDH-UHFFFAOYSA-N
XLogP6.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
CID 16828774
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 10297535
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-[2-benzoyl-4-[[2-(3-methylphenyl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11236897
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
N-[2-benzoyl-4-[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11214428

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide (CID 41126334) is N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide is CSc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide?
The InChIKey is TYZPOMBSUDCKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3S/c1-20-12-17-27(25(18-20)29(34)22-8-4-3-5-9-22)32-30(35)24-10-6-7-11-26(24)31-28(33)19-21-13-15-23(36-2)16-14-21/h3-18H,19H2,1-2H3,(H,31,33)(H,32,35).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide?
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide has a molecular weight of 494.62 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 41126334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).