[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

C24H19NO6S — CID 25041610

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)c3cc4ccccc4o3)c2)c1
InChIInChI=1S/C24H19NO6S/c1-16-6-4-9-19(12-16)25-32(28,29)20-10-5-8-18(13-20)24(27)30-15-21(26)23-14-17-7-2-3-11-22(17)31-23/h2-14,25H,15H2,1H3
InChIKeyIVUARRQUWGEPMR-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.58
Rot. Bonds7

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 25041610) has the molecular formula C24H19NO6S and a molecular weight of 449.48 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID25041610
Molecular FormulaC24H19NO6S
Molecular Weight449.48 g/mol
Exact Mass449.09
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)c3cc4ccccc4o3)c2)c1
InChIInChI=1S/C24H19NO6S/c1-16-6-4-9-19(12-16)25-32(28,29)20-10-5-8-18(13-20)24(27)30-15-21(26)23-14-17-7-2-3-11-22(17)31-23/h2-14,25H,15H2,1H3
InChIKeyIVUARRQUWGEPMR-UHFFFAOYSA-N
XLogP4.58
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706788
[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706772
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499402
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 9488090
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499851
ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 166324663
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 31138226
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7744890

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate (CID 25041610) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)c3cc4ccccc4o3)c2)c1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is IVUARRQUWGEPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6S/c1-16-6-4-9-19(12-16)25-32(28,29)20-10-5-8-18(13-20)24(27)30-15-21(26)23-14-17-7-2-3-11-22(17)31-23/h2-14,25H,15H2,1H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate has a molecular weight of 449.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25041610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).