N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

C20H20N2O4S — CID 26696313

IUPACN-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H20N2O4S/c1-14-9-15(2)11-17(10-14)22-20(23)16-5-3-7-19(12-16)27(24,25)21-13-18-6-4-8-26-18/h3-12,21H,13H2,1-2H3,(H,22,23)
InChIKeyGPCPMACGQKZWEW-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.63
Rot. Bonds6

About N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 26696313) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID26696313
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C20H20N2O4S/c1-14-9-15(2)11-17(10-14)22-20(23)16-5-3-7-19(12-16)27(24,25)21-13-18-6-4-8-26-18/h3-12,21H,13H2,1-2H3,(H,22,23)
InChIKeyGPCPMACGQKZWEW-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

N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064485
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 35143678
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (CID 26696313) is N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is GPCPMACGQKZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-9-15(2)11-17(10-14)22-20(23)16-5-3-7-19(12-16)27(24,25)21-13-18-6-4-8-26-18/h3-12,21H,13H2,1-2H3,(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)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 N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 26696313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).