2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C20H19ClN2O3S2 — CID 3393870

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1
InChIInChI=1S/C20H19ClN2O3S2/c1-23(2)28(25,26)16-11-9-15(10-12-16)22-19(24)13-27-18-8-4-6-14-5-3-7-17(21)20(14)18/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyWTIDGWSOVSKHJU-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.47
Rot. Bonds6

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 3393870) has the molecular formula C20H19ClN2O3S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID3393870
Molecular FormulaC20H19ClN2O3S2
Molecular Weight434.97 g/mol
Exact Mass434.05
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1
InChIInChI=1S/C20H19ClN2O3S2/c1-23(2)28(25,26)16-11-9-15(10-12-16)22-19(24)13-27-18-8-4-6-14-5-3-7-17(21)20(14)18/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyWTIDGWSOVSKHJU-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
N-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46439728

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 3393870) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is WTIDGWSOVSKHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S2/c1-23(2)28(25,26)16-11-9-15(10-12-16)22-19(24)13-27-18-8-4-6-14-5-3-7-17(21)20(14)18/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 434.97 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).