N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C19H32FNO2S — CID 140622045

IUPACN-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESO=C(COC1CCCC(F)C1)N(CC1CCCS1)C1CCCCC1
InChIInChI=1S/C19H32FNO2S/c20-15-6-4-9-17(12-15)23-14-19(22)21(13-18-10-5-11-24-18)16-7-2-1-3-8-16/h15-18H,1-14H2
InChIKeyIBFPALQHUUXJIS-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.34
Rot. Bonds6

About N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622045) has the molecular formula C19H32FNO2S and a molecular weight of 357.54 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622045
Molecular FormulaC19H32FNO2S
Molecular Weight357.54 g/mol
Exact Mass357.21
IUPAC NameN-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESO=C(COC1CCCC(F)C1)N(CC1CCCS1)C1CCCCC1
InChIInChI=1S/C19H32FNO2S/c20-15-6-4-9-17(12-15)23-14-19(22)21(13-18-10-5-11-24-18)16-7-2-1-3-8-16/h15-18H,1-14H2
InChIKeyIBFPALQHUUXJIS-UHFFFAOYSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140622045) is N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is O=C(COC1CCCC(F)C1)N(CC1CCCS1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is IBFPALQHUUXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FNO2S/c20-15-6-4-9-17(12-15)23-14-19(22)21(13-18-10-5-11-24-18)16-7-2-1-3-8-16/h15-18H,1-14H2.
What are the key properties of N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 357.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).