N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

C24H22N2O4S — CID 108793591

IUPACN-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C24H22N2O4S/c1-3-26(18-11-5-4-6-12-18)31(28,29)22-16-10-8-14-20(22)25-24(27)23-17(2)19-13-7-9-15-21(19)30-23/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyHWXVYECRQGJVBA-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.21
Rot. Bonds6

About N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 108793591) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID108793591
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C24H22N2O4S/c1-3-26(18-11-5-4-6-12-18)31(28,29)22-16-10-8-14-20(22)25-24(27)23-17(2)19-13-7-9-15-21(19)30-23/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyHWXVYECRQGJVBA-UHFFFAOYSA-N
XLogP5.21
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 108797110
N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
CID 168610908
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 108793551
2-(4-acetamidophenyl)-N-[2-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 108792688
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
[2-(2-methylsulfonylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739001
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 108793591) is N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C.
What is the InChIKey of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HWXVYECRQGJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-26(18-11-5-4-6-12-18)31(28,29)22-16-10-8-14-20(22)25-24(27)23-17(2)19-13-7-9-15-21(19)30-23/h4-16H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108793591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).