4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide

C32H27N3O5S — CID 24825416

IUPAC4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3c(-c4cc5ccccc5o4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C32H27N3O5S/c1-39-24-14-12-23(13-15-24)34-32(36)21-10-16-25(17-11-21)41(37,38)33-19-18-27-26-7-3-4-8-28(26)35-31(27)30-20-22-6-2-5-9-29(22)40-30/h2-17,20,33,35H,18-19H2,1H3,(H,34,36)
InChIKeySRDNQARQUQYPMY-UHFFFAOYSA-N
MW565.65 g/mol
LogP6.36
Rot. Bonds9

About 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide

4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 24825416) has the molecular formula C32H27N3O5S and a molecular weight of 565.65 g/mol. Its IUPAC name is 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide
PubChem CID24825416
Molecular FormulaC32H27N3O5S
Molecular Weight565.65 g/mol
Exact Mass565.17
IUPAC Name4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3c(-c4cc5ccccc5o4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C32H27N3O5S/c1-39-24-14-12-23(13-15-24)34-32(36)21-10-16-25(17-11-21)41(37,38)33-19-18-27-26-7-3-4-8-28(26)35-31(27)30-20-22-6-2-5-9-29(22)40-30/h2-17,20,33,35H,18-19H2,1H3,(H,34,36)
InChIKeySRDNQARQUQYPMY-UHFFFAOYSA-N
XLogP6.36
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide (CID 24825416) is 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3c(-c4cc5ccccc5o4)[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is SRDNQARQUQYPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O5S/c1-39-24-14-12-23(13-15-24)34-32(36)21-10-16-25(17-11-21)41(37,38)33-19-18-27-26-7-3-4-8-28(26)35-31(27)30-20-22-6-2-5-9-29(22)40-30/h2-17,20,33,35H,18-19H2,1H3,(H,34,36).
What are the key properties of 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide?
4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 565.65 g/mol, XLogP of 6.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethylsulfamoyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 24825416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).