(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide

C14H19ClN2O3S — CID 41466602

IUPAC(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
SMILESCc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-9-4-5-11(15)8-13(9)17(21(3,19)20)10(2)14(18)16-12-6-7-12/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyJHDSVNAJRVJPFO-JTQLQIEISA-N
MW330.84 g/mol
LogP2.08
Rot. Bonds5

About (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide

(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide (PubChem CID 41466602) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
PubChem CID41466602
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
SMILESCc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-9-4-5-11(15)8-13(9)17(21(3,19)20)10(2)14(18)16-12-6-7-12/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyJHDSVNAJRVJPFO-JTQLQIEISA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide 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

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 8991594
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
CID 41466614
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide
CID 125064270
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133187707
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 125075079
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132671407

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide (CID 41466602) is (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide is Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
The InChIKey is JHDSVNAJRVJPFO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-9-4-5-11(15)8-13(9)17(21(3,19)20)10(2)14(18)16-12-6-7-12/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide has a molecular weight of 330.84 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 41466602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).