3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide

C21H22N2O4S — CID 1242717

IUPAC3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H22N2O4S/c1-16-9-11-18(12-10-16)23(15-19-7-5-13-27-19)21(24)17-6-4-8-20(14-17)28(25,26)22(2)3/h4-14H,15H2,1-3H3
InChIKeyKXYUAOUWUCUDTA-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.69
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide

3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide (PubChem CID 1242717) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
PubChem CID1242717
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H22N2O4S/c1-16-9-11-18(12-10-16)23(15-19-7-5-13-27-19)21(24)17-6-4-8-20(14-17)28(25,26)22(2)3/h4-14H,15H2,1-3H3
InChIKeyKXYUAOUWUCUDTA-UHFFFAOYSA-N
XLogP3.69
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide (CID 1242717) is 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide is Cc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
The InChIKey is KXYUAOUWUCUDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-16-9-11-18(12-10-16)23(15-19-7-5-13-27-19)21(24)17-6-4-8-20(14-17)28(25,26)22(2)3/h4-14H,15H2,1-3H3.
What are the key properties of 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 1242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).