(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide

C17H21N3O4S — CID 95119251

IUPAC(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O4S/c1-12-7-8-16(24-3)15(10-12)20(25(4,22)23)13(2)17(21)19-14-6-5-9-18-11-14/h5-11,13H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyYLACJBAWORGXOV-ZDUSSCGKSA-N
MW363.44 g/mol
LogP2.19
Rot. Bonds6

About (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide

(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide (PubChem CID 95119251) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
PubChem CID95119251
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O4S/c1-12-7-8-16(24-3)15(10-12)20(25(4,22)23)13(2)17(21)19-14-6-5-9-18-11-14/h5-11,13H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyYLACJBAWORGXOV-ZDUSSCGKSA-N
XLogP2.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 132668886
N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 132663881
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763
2-(2,5-dichloro-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 6464225
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133203818
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100573245
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132659229
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125077302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The IUPAC name of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide (CID 95119251) is (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The canonical SMILES for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide is COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccnc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
The InChIKey is YLACJBAWORGXOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-7-8-16(24-3)15(10-12)20(25(4,22)23)13(2)17(21)19-14-6-5-9-18-11-14/h5-11,13H,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide?
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 95119251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).