N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C16H28FNO2S — CID 90227751

IUPACN-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCC(C)C(F)C1
InChIInChI=1S/C16H28FNO2S/c1-3-18(10-14-5-4-8-21-14)16(19)11-20-13-7-6-12(2)15(17)9-13/h12-15H,3-11H2,1-2H3
InChIKeyJKFIUPQBSWJZID-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 90227751) has the molecular formula C16H28FNO2S and a molecular weight of 317.47 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID90227751
Molecular FormulaC16H28FNO2S
Molecular Weight317.47 g/mol
Exact Mass317.18
IUPAC NameN-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCC(C)C(F)C1
InChIInChI=1S/C16H28FNO2S/c1-3-18(10-14-5-4-8-21-14)16(19)11-20-13-7-6-12(2)15(17)9-13/h12-15H,3-11H2,1-2H3
InChIKeyJKFIUPQBSWJZID-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 90227751) is N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CCN(CC1CCCS1)C(=O)COC1CCC(C)C(F)C1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is JKFIUPQBSWJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FNO2S/c1-3-18(10-14-5-4-8-21-14)16(19)11-20-13-7-6-12(2)15(17)9-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 317.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 90227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).