N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

C16H18N2O3S2 — CID 2082856

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-18(2)23(20,21)15-10-8-13(9-11-15)17-16(19)12-22-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyBASSUADZJDEOIH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.67
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 2082856) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
PubChem CID2082856
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-18(2)23(20,21)15-10-8-13(9-11-15)17-16(19)12-22-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyBASSUADZJDEOIH-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524496
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide (CID 2082856) is N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is BASSUADZJDEOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18(2)23(20,21)15-10-8-13(9-11-15)17-16(19)12-22-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 350.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2082856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).