2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide

C25H28N2O4S — CID 2943639

IUPAC2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-17-15-18(2)24(19(3)16-17)26-25(28)20(4)27(32(5,29)30)21-11-13-23(14-12-21)31-22-9-7-6-8-10-22/h6-16,20H,1-5H3,(H,26,28)
InChIKeyGLKUHINQJONIMQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.20
Rot. Bonds7

About 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide

2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 2943639) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID2943639
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C25H28N2O4S/c1-17-15-18(2)24(19(3)16-17)26-25(28)20(4)27(32(5,29)30)21-11-13-23(14-12-21)31-22-9-7-6-8-10-22/h6-16,20H,1-5H3,(H,26,28)
InChIKeyGLKUHINQJONIMQ-UHFFFAOYSA-N
XLogP5.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125087784
N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2930226
(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
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2927652
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185401
(2R)-N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1303516
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1295562

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 2943639) is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is GLKUHINQJONIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-17-15-18(2)24(19(3)16-17)26-25(28)20(4)27(32(5,29)30)21-11-13-23(14-12-21)31-22-9-7-6-8-10-22/h6-16,20H,1-5H3,(H,26,28).
What are the key properties of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 2943639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).