N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide

C12H9ClFNOS2 — CID 2819784

IUPACN-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClFNOS2/c13-9-6-8(3-4-10(9)14)15-11(16)7-18-12-2-1-5-17-12/h1-6H,7H2,(H,15,16)
InChIKeyLEQHXJSUCMLXAJ-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.27
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 2819784) has the molecular formula C12H9ClFNOS2 and a molecular weight of 301.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID2819784
Molecular FormulaC12H9ClFNOS2
Molecular Weight301.80 g/mol
Exact Mass300.98
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClFNOS2/c13-9-6-8(3-4-10(9)14)15-11(16)7-18-12-2-1-5-17-12/h1-6H,7H2,(H,15,16)
InChIKeyLEQHXJSUCMLXAJ-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide (CID 2819784) is N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is LEQHXJSUCMLXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS2/c13-9-6-8(3-4-10(9)14)15-11(16)7-18-12-2-1-5-17-12/h1-6H,7H2,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 301.80 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 2819784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).