3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

C20H20N2O4S — CID 109064483

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H20N2O4S/c1-14-8-9-15(2)19(11-14)22-27(24,25)18-7-3-5-16(12-18)20(23)21-13-17-6-4-10-26-17/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyCVLZBYJLRWIMSV-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.63
Rot. Bonds6

About 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 109064483) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID109064483
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H20N2O4S/c1-14-8-9-15(2)19(11-14)22-27(24,25)18-7-3-5-16(12-18)20(23)21-13-17-6-4-10-26-17/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyCVLZBYJLRWIMSV-UHFFFAOYSA-N
XLogP3.63
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064485
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 1260914
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27824385

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 109064483) is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is Cc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is CVLZBYJLRWIMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-8-9-15(2)19(11-14)22-27(24,25)18-7-3-5-16(12-18)20(23)21-13-17-6-4-10-26-17/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 109064483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).