5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide

C22H24N2O4S — CID 35155749

IUPAC5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1
InChIInChI=1S/C22H24N2O4S/c1-16-6-9-18(10-7-16)15-24(3)22(25)21-13-20(11-8-17(21)2)29(26,27)23-14-19-5-4-12-28-19/h4-13,23H,14-15H2,1-3H3
InChIKeyJIJWDTVCJPZMTE-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.65
Rot. Bonds7

About 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide

5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 35155749) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID35155749
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1
InChIInChI=1S/C22H24N2O4S/c1-16-6-9-18(10-7-16)15-24(3)22(25)21-13-20(11-8-17(21)2)29(26,27)23-14-19-5-4-12-28-19/h4-13,23H,14-15H2,1-3H3
InChIKeyJIJWDTVCJPZMTE-UHFFFAOYSA-N
XLogP3.65
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550260
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4808865
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 75429428
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide (CID 35155749) is 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is JIJWDTVCJPZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16-6-9-18(10-7-16)15-24(3)22(25)21-13-20(11-8-17(21)2)29(26,27)23-14-19-5-4-12-28-19/h4-13,23H,14-15H2,1-3H3.
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide?
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 412.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 35155749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).