N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide

C13H13NO5S — CID 47397641

IUPACN-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ccoc2)cc1C
InChIInChI=1S/C13H13NO5S/c1-9-7-11(3-4-12(9)18-2)20(16,17)14-13(15)10-5-6-19-8-10/h3-8H,1-2H3,(H,14,15)
InChIKeyLQEVKUKHHQTFPX-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.72
Rot. Bonds4

About N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide

N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide (PubChem CID 47397641) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide
PubChem CID47397641
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC NameN-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ccoc2)cc1C
InChIInChI=1S/C13H13NO5S/c1-9-7-11(3-4-12(9)18-2)20(16,17)14-13(15)10-5-6-19-8-10/h3-8H,1-2H3,(H,14,15)
InChIKeyLQEVKUKHHQTFPX-UHFFFAOYSA-N
XLogP1.72
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
CID 56814792
N-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 47608430
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide
CID 95176209
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
4-methoxy-3-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110722035
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide (CID 47397641) is N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2ccoc2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide?
The InChIKey is LQEVKUKHHQTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-9-7-11(3-4-12(9)18-2)20(16,17)14-13(15)10-5-6-19-8-10/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide?
N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide is sourced from PubChem (CID 47397641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).