2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide

C23H24N2O4S — CID 2964511

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-9-13-20(14-10-17)25(30(3,27)28)18(2)23(26)24-19-11-15-22(16-12-19)29-21-7-5-4-6-8-21/h4-16,18H,1-3H3,(H,24,26)
InChIKeyPNLINMHTXGUWDL-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide

2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide (PubChem CID 2964511) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
PubChem CID2964511
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-9-13-20(14-10-17)25(30(3,27)28)18(2)23(26)24-19-11-15-22(16-12-19)29-21-7-5-4-6-8-21/h4-16,18H,1-3H3,(H,24,26)
InChIKeyPNLINMHTXGUWDL-UHFFFAOYSA-N
XLogP4.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486888
(2R)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486883
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-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2930226
(2R)-N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126329949
(2R)-N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1303516
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 40976069
N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide (CID 2964511) is 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is PNLINMHTXGUWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-9-13-20(14-10-17)25(30(3,27)28)18(2)23(26)24-19-11-15-22(16-12-19)29-21-7-5-4-6-8-21/h4-16,18H,1-3H3,(H,24,26).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 424.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 2964511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).