6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C24H22N2O4S — CID 155233897

IUPAC6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C24H22N2O4S/c1-3-26(2)19-14-13-18-15-22(30-21(18)16-19)24(27)25-31(28,29)23-12-8-7-11-20(23)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyCHBUGVLFZKNKNK-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.67
Rot. Bonds6

About 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155233897) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155233897
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C24H22N2O4S/c1-3-26(2)19-14-13-18-15-22(30-21(18)16-19)24(27)25-31(28,29)23-12-8-7-11-20(23)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyCHBUGVLFZKNKNK-UHFFFAOYSA-N
XLogP4.67
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155233897) is 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1.
What is the InChIKey of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is CHBUGVLFZKNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-26(2)19-14-13-18-15-22(30-21(18)16-19)24(27)25-31(28,29)23-12-8-7-11-20(23)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,25,27).
What are the key properties of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).