2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide

C17H16ClN3OS — CID 9168666

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
SMILESCCn1nccc1NC(=O)CSc1cccc2cccc(Cl)c12
InChIInChI=1S/C17H16ClN3OS/c1-2-21-15(9-10-19-21)20-16(22)11-23-14-8-4-6-12-5-3-7-13(18)17(12)14/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyRYBARCHGAGQJIH-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.44
Rot. Bonds5

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide (PubChem CID 9168666) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
PubChem CID9168666
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
SMILESCCn1nccc1NC(=O)CSc1cccc2cccc(Cl)c12
InChIInChI=1S/C17H16ClN3OS/c1-2-21-15(9-10-19-21)20-16(22)11-23-14-8-4-6-12-5-3-7-13(18)17(12)14/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyRYBARCHGAGQJIH-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3953709
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
ethyl 2-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 112794508
N-(2-ethylpyrazol-3-yl)propanamide
CID 59069155
N-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46439728
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 4531318
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-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119430016

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide (CID 9168666) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide is CCn1nccc1NC(=O)CSc1cccc2cccc(Cl)c12.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide?
The InChIKey is RYBARCHGAGQJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-2-21-15(9-10-19-21)20-16(22)11-23-14-8-4-6-12-5-3-7-13(18)17(12)14/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide has a molecular weight of 345.86 g/mol, XLogP of 4.44, 5 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-(2-ethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 9168666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).