2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

C26H23N3O5S — CID 1302890

IUPAC2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H23N3O5S/c1-29(35(32,33)22-9-3-2-4-10-22)20-15-13-19(14-16-20)25(30)28-24-12-6-5-11-23(24)26(31)27-18-21-8-7-17-34-21/h2-17H,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyIAHPFXZXPPTHDU-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.29
Rot. Bonds8

About 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1302890) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1302890
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC Name2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H23N3O5S/c1-29(35(32,33)22-9-3-2-4-10-22)20-15-13-19(14-16-20)25(30)28-24-12-6-5-11-23(24)26(31)27-18-21-8-7-17-34-21/h2-17H,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyIAHPFXZXPPTHDU-UHFFFAOYSA-N
XLogP4.29
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(dimethylsulfamoyl)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 95295267
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 55413423
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496
2-[[4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 18891129
N-(2-methoxyethyl)-2-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoyl]amino]benzamide
CID 2225095

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 1302890) is 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IAHPFXZXPPTHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-29(35(32,33)22-9-3-2-4-10-22)20-15-13-19(14-16-20)25(30)28-24-12-6-5-11-23(24)26(31)27-18-21-8-7-17-34-21/h2-17H,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 489.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1302890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).