N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide

C14H15NO6S — CID 56814792

IUPACN-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2occc2C)cc1OC
InChIInChI=1S/C14H15NO6S/c1-9-6-7-21-13(9)14(16)15-22(17,18)10-4-5-11(19-2)12(8-10)20-3/h4-8H,1-3H3,(H,15,16)
InChIKeyWEFZBHUIEHJNFG-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.72
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide

N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide (PubChem CID 56814792) has the molecular formula C14H15NO6S and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
PubChem CID56814792
Molecular FormulaC14H15NO6S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC NameN-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2occc2C)cc1OC
InChIInChI=1S/C14H15NO6S/c1-9-6-7-21-13(9)14(16)15-22(17,18)10-4-5-11(19-2)12(8-10)20-3/h4-8H,1-3H3,(H,15,16)
InChIKeyWEFZBHUIEHJNFG-UHFFFAOYSA-N
XLogP1.72
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-methylphenyl)sulfonylfuran-3-carboxamide
CID 47397641
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
CID 30804395
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75401971
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)sulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94188351
(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide
CID 95177968
methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate
CID 129359128
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide (CID 56814792) is N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2occc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide?
The InChIKey is WEFZBHUIEHJNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6S/c1-9-6-7-21-13(9)14(16)15-22(17,18)10-4-5-11(19-2)12(8-10)20-3/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide?
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide is sourced from PubChem (CID 56814792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).