3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid

C17H17NO6S — CID 18683964

IUPAC3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1
InChIInChI=1S/C17H17NO6S/c1-24-15-5-3-2-4-14(15)17(21)18-12-6-8-13(9-7-12)25(22,23)11-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyPBDUVGVVKLVJGP-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.20
Rot. Bonds7

About 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid

3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid (PubChem CID 18683964) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid
PubChem CID18683964
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Name3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1
InChIInChI=1S/C17H17NO6S/c1-24-15-5-3-2-4-14(15)17(21)18-12-6-8-13(9-7-12)25(22,23)11-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyPBDUVGVVKLVJGP-UHFFFAOYSA-N
XLogP2.20
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzamidophenyl)sulfonylpropanoic acid
CID 18368976
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 110410097
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide
CID 149316624
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
3-(2-methoxyphenyl)sulfonylpropanoic acid
CID 61297989
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid?
The IUPAC name of 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid (CID 18683964) is 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid?
The canonical SMILES for 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid is COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid?
The InChIKey is PBDUVGVVKLVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c1-24-15-5-3-2-4-14(15)17(21)18-12-6-8-13(9-7-12)25(22,23)11-10-16(19)20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid?
3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid has a molecular weight of 363.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid is sourced from PubChem (CID 18683964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).