(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

C14H22N2O3S — CID 124550781

IUPAC(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-10(2)15-14(17)12(4)16(20(5,18)19)13-8-6-11(3)7-9-13/h6-10,12H,1-5H3,(H,15,17)/t12-/m1/s1
InChIKeyQSDJHBYIDVVEPH-GFCCVEGCSA-N
MW298.41 g/mol
LogP1.67
Rot. Bonds5

About (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (PubChem CID 124550781) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
PubChem CID124550781
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-10(2)15-14(17)12(4)16(20(5,18)19)13-8-6-11(3)7-9-13/h6-10,12H,1-5H3,(H,15,17)/t12-/m1/s1
InChIKeyQSDJHBYIDVVEPH-GFCCVEGCSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 94012957
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012958
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 125042187
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 92675455
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132658890
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 125042380
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (CID 124550781) is (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is Cc1ccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The InChIKey is QSDJHBYIDVVEPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)15-14(17)12(4)16(20(5,18)19)13-8-6-11(3)7-9-13/h6-10,12H,1-5H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 124550781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).