2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide

C18H11ClF3NOS — CID 4531318

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11ClF3NOS/c19-11-5-1-3-10-4-2-6-14(16(10)11)25-9-15(24)23-13-8-7-12(20)17(21)18(13)22/h1-8H,9H2,(H,23,24)
InChIKeyQRNXVGZGHAVAFE-UHFFFAOYSA-N
MW381.81 g/mol
LogP5.64
Rot. Bonds4

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4531318) has the molecular formula C18H11ClF3NOS and a molecular weight of 381.81 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4531318
Molecular FormulaC18H11ClF3NOS
Molecular Weight381.81 g/mol
Exact Mass381.02
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11ClF3NOS/c19-11-5-1-3-10-4-2-6-14(16(10)11)25-9-15(24)23-13-8-7-12(20)17(21)18(13)22/h1-8H,9H2,(H,23,24)
InChIKeyQRNXVGZGHAVAFE-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.81
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
CID 2093520
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30471131
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide (CID 4531318) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide is O=C(CSc1cccc2cccc(Cl)c12)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QRNXVGZGHAVAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NOS/c19-11-5-1-3-10-4-2-6-14(16(10)11)25-9-15(24)23-13-8-7-12(20)17(21)18(13)22/h1-8H,9H2,(H,23,24).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 381.81 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4531318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).