N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide

C30H25FN2O5S — CID 44994815

IUPACN-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C30H25FN2O5S/c1-20-11-16-27(25(19-20)29(35)21-7-3-2-4-8-21)33-30(36)24-9-5-6-10-26(24)32-28(34)17-18-39(37,38)23-14-12-22(31)13-15-23/h2-16,19H,17-18H2,1H3,(H,32,34)(H,33,36)
InChIKeyWHTVBZCOCCCZIE-UHFFFAOYSA-N
MW544.60 g/mol
LogP5.42
Rot. Bonds9

About N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide

N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide (PubChem CID 44994815) has the molecular formula C30H25FN2O5S and a molecular weight of 544.60 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
PubChem CID44994815
Molecular FormulaC30H25FN2O5S
Molecular Weight544.60 g/mol
Exact Mass544.15
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C30H25FN2O5S/c1-20-11-16-27(25(19-20)29(35)21-7-3-2-4-8-21)33-30(36)24-9-5-6-10-26(24)32-28(34)17-18-39(37,38)23-14-12-22(31)13-15-23/h2-16,19H,17-18H2,1H3,(H,32,34)(H,33,36)
InChIKeyWHTVBZCOCCCZIE-UHFFFAOYSA-N
XLogP5.42
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.60
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586245
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
CID 41126334
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide (CID 44994815) is N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide?
The InChIKey is WHTVBZCOCCCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O5S/c1-20-11-16-27(25(19-20)29(35)21-7-3-2-4-8-21)33-30(36)24-9-5-6-10-26(24)32-28(34)17-18-39(37,38)23-14-12-22(31)13-15-23/h2-16,19H,17-18H2,1H3,(H,32,34)(H,33,36).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide?
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide has a molecular weight of 544.60 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide is sourced from PubChem (CID 44994815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).