N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide

C16H15ClFNOS — CID 2105395

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNOS/c17-13-3-1-12(2-4-13)9-10-19-16(20)11-21-15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H,19,20)
InChIKeyUVNDOBMHBUQFAI-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2105395) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2105395
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNOS/c17-13-3-1-12(2-4-13)9-10-19-16(20)11-21-15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H,19,20)
InChIKeyUVNDOBMHBUQFAI-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 2105395) is N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is UVNDOBMHBUQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c17-13-3-1-12(2-4-13)9-10-19-16(20)11-21-15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 323.82 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2105395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).