ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate

C24H22N2O7S — CID 43947524

IUPACethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C24H22N2O7S/c1-3-31-24(28)22-21(19-8-4-5-9-20(19)33-22)25-23(27)16-10-12-18(13-11-16)34(29,30)26(2)15-17-7-6-14-32-17/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyZWKMFMVDASAWJE-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.28
Rot. Bonds8

About ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate

ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate (PubChem CID 43947524) has the molecular formula C24H22N2O7S and a molecular weight of 482.51 g/mol. Its IUPAC name is ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate
PubChem CID43947524
Molecular FormulaC24H22N2O7S
Molecular Weight482.51 g/mol
Exact Mass482.11
IUPAC Nameethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C24H22N2O7S/c1-3-31-24(28)22-21(19-8-4-5-9-20(19)33-22)25-23(27)16-10-12-18(13-11-16)34(29,30)26(2)15-17-7-6-14-32-17/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyZWKMFMVDASAWJE-UHFFFAOYSA-N
XLogP4.28
TPSA119.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 7656195
N-[2-(dimethylamino)ethyl]-3-[(4-ethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 20925946
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxylate
CID 42427921
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate (CID 43947524) is ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate?
The InChIKey is ZWKMFMVDASAWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7S/c1-3-31-24(28)22-21(19-8-4-5-9-20(19)33-22)25-23(27)16-10-12-18(13-11-16)34(29,30)26(2)15-17-7-6-14-32-17/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate?
ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate has a molecular weight of 482.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 43947524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).