2-ethylsulfanyl-N-(4-fluorophenyl)acetamide

C10H12FNOS — CID 2219608

IUPAC2-ethylsulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNOS/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyCZUIHEOPRQFMGE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.52
Rot. Bonds4

About 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide

2-ethylsulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 2219608) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID2219608
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name2-ethylsulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNOS/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyCZUIHEOPRQFMGE-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide (CID 2219608) is 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide is CCSCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is CZUIHEOPRQFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide?
2-ethylsulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 213.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2219608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).