3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide

C25H22N2O4S — CID 55454906

IUPAC3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H22N2O4S/c28-25(27-24(23-15-8-16-31-23)20-11-5-2-6-12-20)21-13-7-14-22(17-21)32(29,30)26-18-19-9-3-1-4-10-19/h1-17,24,26H,18H2,(H,27,28)
InChIKeyBQTNTEITUUXFRU-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.28
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide

3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide (PubChem CID 55454906) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
PubChem CID55454906
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC Name3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H22N2O4S/c28-25(27-24(23-15-8-16-31-23)20-11-5-2-6-12-20)21-13-7-14-22(17-21)32(29,30)26-18-19-9-3-1-4-10-19/h1-17,24,26H,18H2,(H,27,28)
InChIKeyBQTNTEITUUXFRU-UHFFFAOYSA-N
XLogP4.28
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[furan-2-yl(phenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 134029296
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496
3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 75392204
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide (CID 55454906) is 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide is O=C(NC(c1ccccc1)c1ccco1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
The InChIKey is BQTNTEITUUXFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c28-25(27-24(23-15-8-16-31-23)20-11-5-2-6-12-20)21-13-7-14-22(17-21)32(29,30)26-18-19-9-3-1-4-10-19/h1-17,24,26H,18H2,(H,27,28).
What are the key properties of 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide?
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 55454906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).