2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

C26H24N2O4S — CID 1367993

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)28(19-21-8-3-2-4-9-21)25-12-6-5-11-24(25)26(29)27-18-22-10-7-17-32-22/h2-17H,18-19H2,1H3,(H,27,29)
InChIKeyYHLJDYHFZNAZDF-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.91
Rot. Bonds8

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1367993) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1367993
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)28(19-21-8-3-2-4-9-21)25-12-6-5-11-24(25)26(29)27-18-22-10-7-17-32-22/h2-17H,18-19H2,1H3,(H,27,29)
InChIKeyYHLJDYHFZNAZDF-UHFFFAOYSA-N
XLogP4.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (CID 1367993) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is YHLJDYHFZNAZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)28(19-21-8-3-2-4-9-21)25-12-6-5-11-24(25)26(29)27-18-22-10-7-17-32-22/h2-17H,18-19H2,1H3,(H,27,29).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1367993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).