(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide

C19H24N2O3S — CID 126136461

IUPAC(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-14(2)17-12-8-9-13-18(17)20-19(22)15(3)21(25(4,23)24)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyLWXLTKGJJMHWIM-HNNXBMFYSA-N
MW360.48 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide

(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 126136461) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID126136461
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-14(2)17-12-8-9-13-18(17)20-19(22)15(3)21(25(4,23)24)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyLWXLTKGJJMHWIM-HNNXBMFYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
CID 134704812
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(4-bromophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 7012255
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 126136461) is (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is LWXLTKGJJMHWIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)17-12-8-9-13-18(17)20-19(22)15(3)21(25(4,23)24)16-10-6-5-7-11-16/h5-15H,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide?
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 126136461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).