N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C20H34FNO3S — CID 140622099

IUPACN-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCOC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1F
InChIInChI=1S/C20H34FNO3S/c1-24-19-10-9-16(12-18(19)21)25-14-20(23)22(13-17-8-5-11-26-17)15-6-3-2-4-7-15/h15-19H,2-14H2,1H3
InChIKeyPNHVBPKELDGPCA-UHFFFAOYSA-N
MW387.56 g/mol
LogP3.97
Rot. Bonds7

About N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622099) has the molecular formula C20H34FNO3S and a molecular weight of 387.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622099
Molecular FormulaC20H34FNO3S
Molecular Weight387.56 g/mol
Exact Mass387.22
IUPAC NameN-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCOC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1F
InChIInChI=1S/C20H34FNO3S/c1-24-19-10-9-16(12-18(19)21)25-14-20(23)22(13-17-8-5-11-26-17)15-6-3-2-4-7-15/h15-19H,2-14H2,1H3
InChIKeyPNHVBPKELDGPCA-UHFFFAOYSA-N
XLogP3.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140622099) is N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is COC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1F.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is PNHVBPKELDGPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FNO3S/c1-24-19-10-9-16(12-18(19)21)25-14-20(23)22(13-17-8-5-11-26-17)15-6-3-2-4-7-15/h15-19H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 387.56 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-4-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).