N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C17H15ClF3NO2S — CID 7630784

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO2S/c18-13-3-7-15(8-4-13)25-10-9-22-16(23)11-24-14-5-1-12(2-6-14)17(19,20)21/h1-8H,9-11H2,(H,22,23)
InChIKeyKUNZPYUGJKPPJC-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.65
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 7630784) has the molecular formula C17H15ClF3NO2S and a molecular weight of 389.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID7630784
Molecular FormulaC17H15ClF3NO2S
Molecular Weight389.83 g/mol
Exact Mass389.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO2S/c18-13-3-7-15(8-4-13)25-10-9-22-16(23)11-24-14-5-1-12(2-6-14)17(19,20)21/h1-8H,9-11H2,(H,22,23)
InChIKeyKUNZPYUGJKPPJC-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[(2-chlorophenyl)methylthio]ethyl}-2-phenoxyacetamide
CID 2281988
2-(4-chlorophenoxy)-N-{2-[(2-methylbenzyl)thio]ethyl}acetamide
CID 2177892
N-{2-[(3-chlorobenzyl)thio]ethyl}-2-(4-chlorophenoxy)acetamide
CID 2282212
2-(4-chlorophenoxy)-N-{2-[(3-methylbenzyl)thio]ethyl}acetamide
CID 2285391
N-{2-[(3-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2264233
N-{2-[(4-chlorophenyl)thio]ethyl}-2-(2,4-dichlorophenoxy)acetamide
CID 2278923
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenoxyacetamide
CID 2282358
N-{2-[(2-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2283469
2-(4-chlorophenoxy)-N-[2-(phenylthio)ethyl]acetamide
CID 2283889
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2292128
N-{2-[(2-chlorobenzyl)sulfanyl]ethyl}-2-(4-chlorophenoxy)acetamide
CID 2899280
2-(4-chlorophenoxy)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}acetamide
CID 30865964

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 7630784) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is KUNZPYUGJKPPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2S/c18-13-3-7-15(8-4-13)25-10-9-22-16(23)11-24-14-5-1-12(2-6-14)17(19,20)21/h1-8H,9-11H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 389.83 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 7630784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).