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

C21H22N2O4S — CID 7656195

IUPACN-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)c1C
InChIInChI=1S/C21H22N2O4S/c1-15-6-4-8-20(16(15)2)22-21(24)17-9-11-19(12-10-17)28(25,26)23(3)14-18-7-5-13-27-18/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyPLJPEBZWTHQILZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.97
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 7656195) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
PubChem CID7656195
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)c1C
InChIInChI=1S/C21H22N2O4S/c1-15-6-4-8-20(16(15)2)22-21(24)17-9-11-19(12-10-17)28(25,26)23(3)14-18-7-5-13-27-18/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyPLJPEBZWTHQILZ-UHFFFAOYSA-N
XLogP3.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 43947524
2-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18584106
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 16831206
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947495
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947496
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 7656195) is N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The InChIKey is PLJPEBZWTHQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-6-4-8-20(16(15)2)22-21(24)17-9-11-19(12-10-17)28(25,26)23(3)14-18-7-5-13-27-18/h4-13H,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 7656195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).