2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C14H14FNOS2 — CID 5045378

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C14H14FNOS2/c15-12-5-3-11(4-6-12)9-18-10-14(17)16-8-13-2-1-7-19-13/h1-7H,8-10H2,(H,16,17)
InChIKeyQEQFOBXIBIAXMR-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.44
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5045378) has the molecular formula C14H14FNOS2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5045378
Molecular FormulaC14H14FNOS2
Molecular Weight295.40 g/mol
Exact Mass295.05
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C14H14FNOS2/c15-12-5-3-11(4-6-12)9-18-10-14(17)16-8-13-2-1-7-19-13/h1-7H,8-10H2,(H,16,17)
InChIKeyQEQFOBXIBIAXMR-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 5045378) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSCc1ccc(F)cc1)NCc1cccs1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QEQFOBXIBIAXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS2/c15-12-5-3-11(4-6-12)9-18-10-14(17)16-8-13-2-1-7-19-13/h1-7H,8-10H2,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 295.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5045378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).