3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide

C21H22N2O4S — CID 2236972

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C21H22N2O4S/c1-14-6-4-8-19(16(14)3)23-28(25,26)20-12-17(10-9-15(20)2)21(24)22-13-18-7-5-11-27-18/h4-12,23H,13H2,1-3H3,(H,22,24)
InChIKeyCIBBURKOARBPIG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.94
Rot. Bonds6

About 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 2236972) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID2236972
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C21H22N2O4S/c1-14-6-4-8-19(16(14)3)23-28(25,26)20-12-17(10-9-15(20)2)21(24)22-13-18-7-5-11-27-18/h4-12,23H,13H2,1-3H3,(H,22,24)
InChIKeyCIBBURKOARBPIG-UHFFFAOYSA-N
XLogP3.94
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[(3-fluorophenyl)sulfonyl]amino}-N-(2-furylmethyl)benzamide
CID 984669
N-(furan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2704666
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
3-{[(2-furylmethyl)amino]sulfonyl}-N-phenylbenzamide
CID 1368140
3-[(4-Phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2999387
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
N-(2-furylmethyl)-N-methyl-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]phenylalaninamide
CID 5308286
3-Dimethylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 652389
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 654829
N-(2-furylmethyl)-2-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}acetamide
CID 984199
4-({[(2,5-dimethylphenyl)sulfonyl]amino}methyl)-N-(2-furylmethyl)benzamide
CID 984376

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 2236972) is 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is CIBBURKOARBPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-6-4-8-19(16(14)3)23-28(25,26)20-12-17(10-9-15(20)2)21(24)22-13-18-7-5-11-27-18/h4-12,23H,13H2,1-3H3,(H,22,24).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 2236972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).