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

C25H24N2O4S — CID 155233944

IUPAC6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C25H24N2O4S/c1-3-15-27(2)20-14-13-19-16-23(31-22(19)17-20)25(28)26-32(29,30)24-12-8-7-11-21(24)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,26,28)
InChIKeyTXLVVCCITHCIFQ-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.06
Rot. Bonds7

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

6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155233944) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155233944
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C25H24N2O4S/c1-3-15-27(2)20-14-13-19-16-23(31-22(19)17-20)25(28)26-32(29,30)24-12-8-7-11-21(24)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,26,28)
InChIKeyTXLVVCCITHCIFQ-UHFFFAOYSA-N
XLogP5.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155233944) is 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1.
What is the InChIKey of 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is TXLVVCCITHCIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-3-15-27(2)20-14-13-19-16-23(31-22(19)17-20)25(28)26-32(29,30)24-12-8-7-11-21(24)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,26,28).
What are the key properties of 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).