(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide

C12H17ClN2O3S — CID 40635196

IUPAC(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
SMILESC[C@H](C(=O)N(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O3S/c1-9(12(16)14(2)3)15(19(4,17)18)11-7-5-6-10(13)8-11/h5-9H,1-4H3/t9-/m1/s1
InChIKeyGBGIGKWDWVTPNI-SECBINFHSA-N
MW304.80 g/mol
LogP1.58
Rot. Bonds4

About (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide (PubChem CID 40635196) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
PubChem CID40635196
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
SMILESC[C@H](C(=O)N(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O3S/c1-9(12(16)14(2)3)15(19(4,17)18)11-7-5-6-10(13)8-11/h5-9H,1-4H3/t9-/m1/s1
InChIKeyGBGIGKWDWVTPNI-SECBINFHSA-N
XLogP1.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide 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-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoate
CID 7393700
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 46771727
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 133219380
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
ethyl 4-[(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 8991491

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide (CID 40635196) is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide is C[C@H](C(=O)N(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The InChIKey is GBGIGKWDWVTPNI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9(12(16)14(2)3)15(19(4,17)18)11-7-5-6-10(13)8-11/h5-9H,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide has a molecular weight of 304.80 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 40635196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).