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

C26H24N2O4S — CID 58892098

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)27-25-12-6-5-11-24(25)26(29)28(19-22-10-7-17-32-22)18-21-8-3-2-4-9-21/h2-17,27H,18-19H2,1H3
InChIKeyFAZLAAGPKRHAHW-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.23
Rot. Bonds8

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

N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 58892098) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID58892098
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)27-25-12-6-5-11-24(25)26(29)28(19-22-10-7-17-32-22)18-21-8-3-2-4-9-21/h2-17,27H,18-19H2,1H3
InChIKeyFAZLAAGPKRHAHW-UHFFFAOYSA-N
XLogP5.23
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 11749023
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 18830831
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 25469575
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892085
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 8603467
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 58892098) is N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is FAZLAAGPKRHAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-20-13-15-23(16-14-20)33(30,31)27-25-12-6-5-11-24(25)26(29)28(19-22-10-7-17-32-22)18-21-8-3-2-4-9-21/h2-17,27H,18-19H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 460.56 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 58892098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).