N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C24H23NO5S — CID 18586245

IUPACN-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO5S/c1-17-8-13-22(21(16-17)24(27)18-6-4-3-5-7-18)25-23(26)14-15-31(28,29)20-11-9-19(30-2)10-12-20/h3-13,16H,14-15H2,1-2H3,(H,25,26)
InChIKeyPLQJJDXWRCFHOQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.04
Rot. Bonds8

About N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 18586245) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID18586245
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC NameN-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO5S/c1-17-8-13-22(21(16-17)24(27)18-6-4-3-5-7-18)25-23(26)14-15-31(28,29)20-11-9-19(30-2)10-12-20/h3-13,16H,14-15H2,1-2H3,(H,25,26)
InChIKeyPLQJJDXWRCFHOQ-UHFFFAOYSA-N
XLogP4.04
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021
N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
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3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3360808
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829294
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298469

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 18586245) is N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is PLQJJDXWRCFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-17-8-13-22(21(16-17)24(27)18-6-4-3-5-7-18)25-23(26)14-15-31(28,29)20-11-9-19(30-2)10-12-20/h3-13,16H,14-15H2,1-2H3,(H,25,26).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 437.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 18586245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).