N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide

C20H20N2O3S2 — CID 9457949

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3S2/c1-22(2)27(24,25)17-12-10-16(11-13-17)21-20(23)14-26-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyODMTXEOZHUKSPR-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.82
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 9457949) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
PubChem CID9457949
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3S2/c1-22(2)27(24,25)17-12-10-16(11-13-17)21-20(23)14-26-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyODMTXEOZHUKSPR-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
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
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2088011
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422
N-[4-(dimethylsulfamoyl)phenyl]-2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 23610085
2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4642015
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide (CID 9457949) is N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is ODMTXEOZHUKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-22(2)27(24,25)17-12-10-16(11-13-17)21-20(23)14-26-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 400.53 g/mol, XLogP of 3.82, 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-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 9457949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).