(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

C13H19ClN2O3S — CID 124561243

IUPAC(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-9(2)15-13(17)10(3)16(20(4,18)19)12-7-5-6-11(14)8-12/h5-10H,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyKVDSGJSYJAWURW-SNVBAGLBSA-N
MW318.83 g/mol
LogP2.02
Rot. Bonds5

About (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (PubChem CID 124561243) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
PubChem CID124561243
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-9(2)15-13(17)10(3)16(20(4,18)19)12-7-5-6-11(14)8-12/h5-10H,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyKVDSGJSYJAWURW-SNVBAGLBSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(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
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
2-(3-chloro-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 43907550
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 28633347
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 92675295
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125074003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (CID 124561243) is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The InChIKey is KVDSGJSYJAWURW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(2)15-13(17)10(3)16(20(4,18)19)12-7-5-6-11(14)8-12/h5-10H,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide has a molecular weight of 318.83 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 124561243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).