(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide

C13H19ClN2O4S — CID 124561251

IUPAC(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O4S/c1-5-15-13(17)9(2)16(21(4,18)19)11-8-10(14)6-7-12(11)20-3/h6-9H,5H2,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyXKFRTPQCXANIAI-SECBINFHSA-N
MW334.83 g/mol
LogP1.64
Rot. Bonds6

About (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide (PubChem CID 124561251) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
PubChem CID124561251
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O4S/c1-5-15-13(17)9(2)16(21(4,18)19)11-8-10(14)6-7-12(11)20-3/h6-9H,5H2,1-4H3,(H,15,17)/t9-/m1/s1
InChIKeyXKFRTPQCXANIAI-SECBINFHSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 53281553
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561296
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 53281524
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 92646323
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2S)-2-ethylhexyl]propanamide
CID 125065052
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53281583
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 125064925
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide?
The IUPAC name of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide (CID 124561251) is (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide is CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide?
The InChIKey is XKFRTPQCXANIAI-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-5-15-13(17)9(2)16(21(4,18)19)11-8-10(14)6-7-12(11)20-3/h6-9H,5H2,1-4H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide?
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide has a molecular weight of 334.83 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide is sourced from PubChem (CID 124561251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).