2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide

C17H14ClFN2OS — CID 2087346

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2OS/c18-13-2-8-16(9-3-13)23-12-17(22)21(11-1-10-20)15-6-4-14(19)5-7-15/h2-9H,1,11-12H2
InChIKeyKOWXWTFCHMTWJZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.52
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide (PubChem CID 2087346) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
PubChem CID2087346
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2OS/c18-13-2-8-16(9-3-13)23-12-17(22)21(11-1-10-20)15-6-4-14(19)5-7-15/h2-9H,1,11-12H2
InChIKeyKOWXWTFCHMTWJZ-UHFFFAOYSA-N
XLogP4.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4786408
3-(4-Chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4791754
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
Propionanilide, N-(2-((p-chlorophenyl)thio)ethyl)-3-(dimethylamino)-
CID 3024348
1,3-Propanediamine, N-(2-((p-chlorophenyl)thio)ethyl)-N',N'-dimethyl-N-phenyl-
CID 3062348
1-Piperidineacetanilide, N-(2-((p-chlorophenyl)thio)ethyl)-
CID 24842497
1-Piperidinebutyranilide, N-(2-((p-chlorophenyl)thio)ethyl)-
CID 24842558
N-(3-Chloro-4-fluorophenyl)-2-((4-chlorophenyl)thio)acetamide
CID 589428
2-(4-Chlorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 7177736
N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 9409709
3-(4-Chlorophenyl)sulfonyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 2552172
2-[(4-chlorophenyl)sulfanyl]-N-[3-fluoro-4-(4-phenylpiperazino)phenyl]acetamide
CID 4669884

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide (CID 2087346) is 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide is N#CCCN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is KOWXWTFCHMTWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c18-13-2-8-16(9-3-13)23-12-17(22)21(11-1-10-20)15-6-4-14(19)5-7-15/h2-9H,1,11-12H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 348.83 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2087346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).