2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid

C21H19N3O6S — CID 139895047

IUPAC2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C21H19N3O6S/c1-30-16-6-8-17(9-7-16)31(28,29)24(14-20(25)26)19-5-3-2-4-18(19)23-21(27)15-10-12-22-13-11-15/h2-13H,14H2,1H3,(H,23,27)(H,25,26)
InChIKeyGVQPHUMBUWXPCD-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.62
Rot. Bonds8

About 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid

2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid (PubChem CID 139895047) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
PubChem CID139895047
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC Name2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C21H19N3O6S/c1-30-16-6-8-17(9-7-16)31(28,29)24(14-20(25)26)19-5-3-2-4-18(19)23-21(27)15-10-12-22-13-11-15/h2-13H,14H2,1H3,(H,23,27)(H,25,26)
InChIKeyGVQPHUMBUWXPCD-UHFFFAOYSA-N
XLogP2.62
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 139894958
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
CID 139895004
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 77461035
2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 174785200
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 53280467
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
2-[N-(4-methoxyphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]-N,N-dimethylacetamide
CID 139895048
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
CID 90051595
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid?
The IUPAC name of 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid (CID 139895047) is 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid.
What is the SMILES notation for 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid?
The canonical SMILES for 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2NC(=O)c2ccncc2)cc1.
What is the InChIKey of 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid?
The InChIKey is GVQPHUMBUWXPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-30-16-6-8-17(9-7-16)31(28,29)24(14-20(25)26)19-5-3-2-4-18(19)23-21(27)15-10-12-22-13-11-15/h2-13H,14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid?
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid has a molecular weight of 441.47 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid is sourced from PubChem (CID 139895047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).