(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide

C12H17NO3S — CID 94024925

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
SMILESCc1ccc(C)c(NC(=O)[C@H](C)S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO3S/c1-8-5-6-9(2)11(7-8)13-12(14)10(3)17(4,15)16/h5-7,10H,1-4H3,(H,13,14)/t10-/m0/s1
InChIKeyFJNFYOARKLKQHE-JTQLQIEISA-N
MW255.34 g/mol
LogP1.68
Rot. Bonds3

About (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide

(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide (PubChem CID 94024925) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
PubChem CID94024925
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
SMILESCc1ccc(C)c(NC(=O)[C@H](C)S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO3S/c1-8-5-6-9(2)11(7-8)13-12(14)10(3)17(4,15)16/h5-7,10H,1-4H3,(H,13,14)/t10-/m0/s1
InChIKeyFJNFYOARKLKQHE-JTQLQIEISA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 82180102
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
CID 104667456
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132658860
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide (CID 94024925) is (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide is Cc1ccc(C)c(NC(=O)[C@H](C)S(C)(=O)=O)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is FJNFYOARKLKQHE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8-5-6-9(2)11(7-8)13-12(14)10(3)17(4,15)16/h5-7,10H,1-4H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide?
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 94024925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).