5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid

C20H18N2O7S — CID 91688158

IUPAC5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H18N2O7S/c1-12(23)21-13-3-6-15(7-4-13)30(26,27)22-17-11-14(28-2)5-8-16(17)18-9-10-19(29-18)20(24)25/h3-11,22H,1-2H3,(H,21,23)(H,24,25)
InChIKeyXEXGVBOEMHYUMG-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.41
Rot. Bonds7

About 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid

5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid (PubChem CID 91688158) has the molecular formula C20H18N2O7S and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
PubChem CID91688158
Molecular FormulaC20H18N2O7S
Molecular Weight430.44 g/mol
Exact Mass430.08
IUPAC Name5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H18N2O7S/c1-12(23)21-13-3-6-15(7-4-13)30(26,27)22-17-11-14(28-2)5-8-16(17)18-9-10-19(29-18)20(24)25/h3-11,22H,1-2H3,(H,21,23)(H,24,25)
InChIKeyXEXGVBOEMHYUMG-UHFFFAOYSA-N
XLogP3.41
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(4-acetamidophenyl)sulfonylamino]-2-methoxyphenyl]furan-2-carboxylic acid
CID 91688093
5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
CID 91688170
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169372273
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
5-[4-[(4-methylphenyl)sulfamoyl]phenyl]furan-2-carboxylic acid
CID 91679907
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
5-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 91679909
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid
CID 3753672
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide
CID 69193209
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167861168

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid (CID 91688158) is 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid is COc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid?
The InChIKey is XEXGVBOEMHYUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O7S/c1-12(23)21-13-3-6-15(7-4-13)30(26,27)22-17-11-14(28-2)5-8-16(17)18-9-10-19(29-18)20(24)25/h3-11,22H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid?
5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid has a molecular weight of 430.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).