(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide

C15H22Cl2N2O3S — CID 125074003

IUPAC(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](C)NC(=O)[C@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-9(2)10(3)18-15(20)11(4)19(23(5,21)22)14-7-12(16)6-13(17)8-14/h6-11H,1-5H3,(H,18,20)/t10-,11+/m1/s1
InChIKeyLDGKEJIICDFSTM-MNOVXSKESA-N
MW381.33 g/mol
LogP3.31
Rot. Bonds6

About (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide

(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide (PubChem CID 125074003) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
PubChem CID125074003
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](C)NC(=O)[C@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-9(2)10(3)18-15(20)11(4)19(23(5,21)22)14-7-12(16)6-13(17)8-14/h6-11H,1-5H3,(H,18,20)/t10-,11+/m1/s1
InChIKeyLDGKEJIICDFSTM-MNOVXSKESA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100564819
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125072391
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565890
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 132673428
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132672819
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 132672818
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 125063135
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132672824
(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide (CID 125074003) is (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide is CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The InChIKey is LDGKEJIICDFSTM-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-9(2)10(3)18-15(20)11(4)19(23(5,21)22)14-7-12(16)6-13(17)8-14/h6-11H,1-5H3,(H,18,20)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide?
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide has a molecular weight of 381.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 125074003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).