N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C20H35NO2S — CID 140621993

IUPACN-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1
InChIInChI=1S/C20H35NO2S/c1-16-9-11-18(12-10-16)23-15-20(22)21(14-19-8-5-13-24-19)17-6-3-2-4-7-17/h16-19H,2-15H2,1H3
InChIKeyWTDKJCQZMLGIAV-UHFFFAOYSA-N
MW353.57 g/mol
LogP4.64
Rot. Bonds6

About N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621993) has the molecular formula C20H35NO2S and a molecular weight of 353.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621993
Molecular FormulaC20H35NO2S
Molecular Weight353.57 g/mol
Exact Mass353.24
IUPAC NameN-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1
InChIInChI=1S/C20H35NO2S/c1-16-9-11-18(12-10-16)23-15-20(22)21(14-19-8-5-13-24-19)17-6-3-2-4-7-17/h16-19H,2-15H2,1H3
InChIKeyWTDKJCQZMLGIAV-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140621993) is N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is WTDKJCQZMLGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2S/c1-16-9-11-18(12-10-16)23-15-20(22)21(14-19-8-5-13-24-19)17-6-3-2-4-7-17/h16-19H,2-15H2,1H3.
What are the key properties of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 353.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).