5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C22H24N2O4S — CID 4808865

IUPAC5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)o1
InChIInChI=1S/C22H24N2O4S/c1-16-9-12-20(29(26,27)23-14-18-7-5-4-6-8-18)13-21(16)22(25)24(3)15-19-11-10-17(2)28-19/h4-13,23H,14-15H2,1-3H3
InChIKeySXZJNAQGCJJKDE-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.65
Rot. Bonds7

About 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide

5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 4808865) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID4808865
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)o1
InChIInChI=1S/C22H24N2O4S/c1-16-9-12-20(29(26,27)23-14-18-7-5-4-6-8-18)13-21(16)22(25)24(3)15-19-11-10-17(2)28-19/h4-13,23H,14-15H2,1-3H3
InChIKeySXZJNAQGCJJKDE-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

N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
CID 31798787
2-[[5-(benzylsulfamoyl)-2-methylbenzoyl]-methylamino]propanoic acid
CID 119209339
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
5-(benzylsulfamoyl)-2-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 112771772
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550260
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
CID 24542584

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 4808865) is 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)o1.
What is the InChIKey of 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is SXZJNAQGCJJKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16-9-12-20(29(26,27)23-14-18-7-5-4-6-8-18)13-21(16)22(25)24(3)15-19-11-10-17(2)28-19/h4-13,23H,14-15H2,1-3H3.
What are the key properties of 5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)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-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 4808865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).