3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide

C21H22N2O4S — CID 24542584

IUPAC3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-16-10-11-18(21(24)23(2)15-19-9-6-12-27-19)13-20(16)28(25,26)22-14-17-7-4-3-5-8-17/h3-13,22H,14-15H2,1-2H3
InChIKeyWZECVXBUCZLVNG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.34
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide

3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide (PubChem CID 24542584) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
PubChem CID24542584
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-16-10-11-18(21(24)23(2)15-19-9-6-12-27-19)13-20(16)28(25,26)22-14-17-7-4-3-5-8-17/h3-13,22H,14-15H2,1-2H3
InChIKeyWZECVXBUCZLVNG-UHFFFAOYSA-N
XLogP3.34
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 15999681
3-(benzylsulfamoyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,4-dimethylbenzamide
CID 40881258
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206
3-(benzylsulfamoyl)-N,N-bis(cyanomethyl)-4-methylbenzamide
CID 60613005
3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38659885
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55380208
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 41041399
5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4808865
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 24542588
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
CID 30948744

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide (CID 24542584) is 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccco2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide?
The InChIKey is WZECVXBUCZLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-16-10-11-18(21(24)23(2)15-19-9-6-12-27-19)13-20(16)28(25,26)22-14-17-7-4-3-5-8-17/h3-13,22H,14-15H2,1-2H3.
What are the key properties of 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide?
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 24542584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).