4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide

C17H18N2O4S2 — CID 2556970

IUPAC4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-19(2)25(22,23)15-10-8-13(9-11-15)17(21)18-16(20)12-24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,20,21)
InChIKeyYLQTZBBSBZREQQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.99
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide

4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide (PubChem CID 2556970) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide
PubChem CID2556970
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-19(2)25(22,23)15-10-8-13(9-11-15)17(21)18-16(20)12-24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,20,21)
InChIKeyYLQTZBBSBZREQQ-UHFFFAOYSA-N
XLogP1.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide (CID 2556970) is 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide?
The InChIKey is YLQTZBBSBZREQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-19(2)25(22,23)15-10-8-13(9-11-15)17(21)18-16(20)12-24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,18,20,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide?
4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide is sourced from PubChem (CID 2556970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).