(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide

C13H20N2O3S — CID 961865

IUPAC(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-9-6-7-12(8-10(9)2)15(19(5,17)18)11(3)13(16)14-4/h6-8,11H,1-5H3,(H,14,16)/t11-/m1/s1
InChIKeyUYXAPWMPZFVGEV-LLVKDONJSA-N
MW284.38 g/mol
LogP1.20
Rot. Bonds4

About (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 961865) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID961865
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-9-6-7-12(8-10(9)2)15(19(5,17)18)11(3)13(16)14-4/h6-8,11H,1-5H3,(H,14,16)/t11-/m1/s1
InChIKeyUYXAPWMPZFVGEV-LLVKDONJSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 40603483
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126387463
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 7370158
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 7370160
ethyl (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoate
CID 124550686
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide (CID 961865) is (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide is CNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is UYXAPWMPZFVGEV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-7-12(8-10(9)2)15(19(5,17)18)11(3)13(16)14-4/h6-8,11H,1-5H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide?
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 961865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).