4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide

C23H20N2O7S2 — CID 42610405

IUPAC4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESCOc1c(-c2cc3ccccc3o2)ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)c1C
InChIInChI=1S/C23H20N2O7S2/c1-14-16(23(26)25-34(29,30)21-10-6-5-9-20(21)33(24,27)28)11-12-17(22(14)31-2)19-13-15-7-3-4-8-18(15)32-19/h3-13H,1-2H3,(H,25,26)(H2,24,27,28)
InChIKeyOPUCCAFTNLNQCS-UHFFFAOYSA-N
MW500.55 g/mol
LogP3.18
Rot. Bonds6

About 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide

4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide (PubChem CID 42610405) has the molecular formula C23H20N2O7S2 and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide
PubChem CID42610405
Molecular FormulaC23H20N2O7S2
Molecular Weight500.55 g/mol
Exact Mass500.07
IUPAC Name4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESCOc1c(-c2cc3ccccc3o2)ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)c1C
InChIInChI=1S/C23H20N2O7S2/c1-14-16(23(26)25-34(29,30)21-10-6-5-9-20(21)33(24,27)28)11-12-17(22(14)31-2)19-13-15-7-3-4-8-18(15)32-19/h3-13H,1-2H3,(H,25,26)(H2,24,27,28)
InChIKeyOPUCCAFTNLNQCS-UHFFFAOYSA-N
XLogP3.18
TPSA145.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(1-benzofuran-2-yl)-3-propan-2-yloxyphenyl]-2-oxoethyl]sulfonylbenzenesulfonamide
CID 58119611
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
2-[2-(4-bromo-3-methoxy-2-methylphenyl)-2-oxoethyl]sulfonylbenzenesulfonamide
CID 58119521
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 26929619
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 71013104
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 89187439
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 8702507
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The IUPAC name of 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide (CID 42610405) is 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide is COc1c(-c2cc3ccccc3o2)ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)c1C.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The InChIKey is OPUCCAFTNLNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7S2/c1-14-16(23(26)25-34(29,30)21-10-6-5-9-20(21)33(24,27)28)11-12-17(22(14)31-2)19-13-15-7-3-4-8-18(15)32-19/h3-13H,1-2H3,(H,25,26)(H2,24,27,28).
What are the key properties of 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide has a molecular weight of 500.55 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3-methoxy-2-methyl-N-(2-sulfamoylphenyl)sulfonylbenzamide is sourced from PubChem (CID 42610405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).