2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid

C17H20N2O5S — CID 136545535

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid
SMILESCOc1c(C)cc(S(=O)(=O)NC(Cc2ccncc2)C(=O)O)cc1C
InChIInChI=1S/C17H20N2O5S/c1-11-8-14(9-12(2)16(11)24-3)25(22,23)19-15(17(20)21)10-13-4-6-18-7-5-13/h4-9,15,19H,10H2,1-3H3,(H,20,21)
InChIKeyNAOHNWSBUCFWHR-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.68
Rot. Bonds7

About 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid

2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid (PubChem CID 136545535) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid
PubChem CID136545535
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid
SMILESCOc1c(C)cc(S(=O)(=O)NC(Cc2ccncc2)C(=O)O)cc1C
InChIInChI=1S/C17H20N2O5S/c1-11-8-14(9-12(2)16(11)24-3)25(22,23)19-15(17(20)21)10-13-4-6-18-7-5-13/h4-9,15,19H,10H2,1-3H3,(H,20,21)
InChIKeyNAOHNWSBUCFWHR-UHFFFAOYSA-N
XLogP1.68
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 1186780
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
(2R)-N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541703
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
(2S)-3-phenyl-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
CID 61136519
2-[(3,4-dimethylphenyl)sulfonylamino]-3-phenylpropanoate
CID 4984236
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28541662

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid (CID 136545535) is 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid is COc1c(C)cc(S(=O)(=O)NC(Cc2ccncc2)C(=O)O)cc1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid?
The InChIKey is NAOHNWSBUCFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11-8-14(9-12(2)16(11)24-3)25(22,23)19-15(17(20)21)10-13-4-6-18-7-5-13/h4-9,15,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid?
2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid has a molecular weight of 364.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 136545535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).