2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide

C18H16N2O3S2 — CID 2225782

IUPAC2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16N2O3S2/c19-25(22,23)17-9-6-15(7-10-17)20-18(21)12-24-16-8-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,20,21)(H2,19,22,23)
InChIKeyCLGIEBAJPWNQPJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.22
Rot. Bonds5

About 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide

2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2225782) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID2225782
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16N2O3S2/c19-25(22,23)17-9-6-15(7-10-17)20-18(21)12-24-16-8-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,20,21)(H2,19,22,23)
InChIKeyCLGIEBAJPWNQPJ-UHFFFAOYSA-N
XLogP3.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 24529591
(E)-4-oxo-4-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylanilino]but-2-enoic acid
CID 22786162
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506
8-[[3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897403
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 2225782) is 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is CLGIEBAJPWNQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c19-25(22,23)17-9-6-15(7-10-17)20-18(21)12-24-16-8-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2225782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).