2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

C25H20FN3O5S — CID 34647496

IUPAC2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H20FN3O5S/c26-18-9-13-21(14-10-18)35(32,33)29-19-11-7-17(8-12-19)24(30)28-23-6-2-1-5-22(23)25(31)27-16-20-4-3-15-34-20/h1-15,29H,16H2,(H,27,31)(H,28,30)
InChIKeyKDHYXFISRBZNDO-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.40
Rot. Bonds8

About 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 34647496) has the molecular formula C25H20FN3O5S and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID34647496
Molecular FormulaC25H20FN3O5S
Molecular Weight493.52 g/mol
Exact Mass493.11
IUPAC Name2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H20FN3O5S/c26-18-9-13-21(14-10-18)35(32,33)29-19-11-7-17(8-12-19)24(30)28-23-6-2-1-5-22(23)25(31)27-16-20-4-3-15-34-20/h1-15,29H,16H2,(H,27,31)(H,28,30)
InChIKeyKDHYXFISRBZNDO-UHFFFAOYSA-N
XLogP4.40
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 8603467
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
N-[4-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014548
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 20971628
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 18891129
2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 95295267
2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
CID 100549501

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 34647496) is 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KDHYXFISRBZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5S/c26-18-9-13-21(14-10-18)35(32,33)29-19-11-7-17(8-12-19)24(30)28-23-6-2-1-5-22(23)25(31)27-16-20-4-3-15-34-20/h1-15,29H,16H2,(H,27,31)(H,28,30).
What are the key properties of 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 493.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 34647496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).