(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide

C17H28N2O3S — CID 7370158

IUPAC(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-7-8-14(4)18-17(20)15(5)19(23(6,21)22)16-10-9-12(2)13(3)11-16/h9-11,14-15H,7-8H2,1-6H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyAVYIQOQMAIKONC-LSDHHAIUSA-N
MW340.49 g/mol
LogP2.76
Rot. Bonds7

About (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide (PubChem CID 7370158) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
PubChem CID7370158
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-7-8-14(4)18-17(20)15(5)19(23(6,21)22)16-10-9-12(2)13(3)11-16/h9-11,14-15H,7-8H2,1-6H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyAVYIQOQMAIKONC-LSDHHAIUSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide 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

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 7370160
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 126414989
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
ethyl (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoate
CID 124550686
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126387463
(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 40603483
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-ethoxypropyl)propanamide
CID 126412397
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 125054709
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 2973790
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide (CID 7370158) is (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide is CCC[C@H](C)NC(=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-[(2S)-pentan-2-yl]propanamide?
The InChIKey is AVYIQOQMAIKONC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-7-8-14(4)18-17(20)15(5)19(23(6,21)22)16-10-9-12(2)13(3)11-16/h9-11,14-15H,7-8H2,1-6H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide?
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.76, 7 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-[(2S)-pentan-2-yl]propanamide is sourced from PubChem (CID 7370158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).