(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

C18H21ClN2O4S — CID 7379124

IUPAC(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-12-7-5-6-8-15(12)20-18(22)13(2)21(26(4,23)24)16-11-14(19)9-10-17(16)25-3/h5-11,13H,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyGHROLJRIIJJIHS-ZDUSSCGKSA-N
MW396.90 g/mol
LogP3.45
Rot. Bonds6

About (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 7379124) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
PubChem CID7379124
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-12-7-5-6-8-15(12)20-18(22)13(2)21(26(4,23)24)16-11-14(19)9-10-17(16)25-3/h5-11,13H,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyGHROLJRIIJJIHS-ZDUSSCGKSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 41032124
(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)propanamide
CID 8991560
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125086719
ethyl 3-chloro-4-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate
CID 132617914
ethyl 3-chloro-4-[[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99949263
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 124561299
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (CID 7379124) is (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is GHROLJRIIJJIHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-7-5-6-8-15(12)20-18(22)13(2)21(26(4,23)24)16-11-14(19)9-10-17(16)25-3/h5-11,13H,1-4H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 7379124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).