N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C24H24N2O5S — CID 2930226

IUPACN-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H24N2O5S/c1-17(24(28)25-20-9-7-8-19(16-20)18(2)27)26(32(3,29)30)21-12-14-23(15-13-21)31-22-10-5-4-6-11-22/h4-17H,1-3H3,(H,25,28)
InChIKeyBWPUBQFIXKZWFJ-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.47
Rot. Bonds8

About N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 2930226) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID2930226
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H24N2O5S/c1-17(24(28)25-20-9-7-8-19(16-20)18(2)27)26(32(3,29)30)21-12-14-23(15-13-21)31-22-10-5-4-6-11-22/h4-17H,1-3H3,(H,25,28)
InChIKeyBWPUBQFIXKZWFJ-UHFFFAOYSA-N
XLogP4.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 132630441
(2R)-N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1303516
(2R)-N-(3-acetylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991470
2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2R)-N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126329949
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 40976069
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 2943639
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502277
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonylanilino)propanamide
CID 93487520
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2927652

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 2930226) is N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is CC(=O)c1cccc(NC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is BWPUBQFIXKZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-17(24(28)25-20-9-7-8-19(16-20)18(2)27)26(32(3,29)30)21-12-14-23(15-13-21)31-22-10-5-4-6-11-22/h4-17H,1-3H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 452.53 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 2930226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).