N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide

C22H39NO2S — CID 140622009

IUPACN-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide
SMILESCCC1CCC(CN(C(=O)COC2CCC(C)CC2)C2CCCCC2)S1
InChIInChI=1S/C22H39NO2S/c1-3-20-13-14-21(26-20)15-23(18-7-5-4-6-8-18)22(24)16-25-19-11-9-17(2)10-12-19/h17-21H,3-16H2,1-2H3
InChIKeyPWKYXVQKVXJRID-UHFFFAOYSA-N
MW381.63 g/mol
LogP5.42
Rot. Bonds7

About N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide

N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide (PubChem CID 140622009) has the molecular formula C22H39NO2S and a molecular weight of 381.63 g/mol. Its IUPAC name is N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide
PubChem CID140622009
Molecular FormulaC22H39NO2S
Molecular Weight381.63 g/mol
Exact Mass381.27
IUPAC NameN-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide
SMILESCCC1CCC(CN(C(=O)COC2CCC(C)CC2)C2CCCCC2)S1
InChIInChI=1S/C22H39NO2S/c1-3-20-13-14-21(26-20)15-23(18-7-5-4-6-8-18)22(24)16-25-19-11-9-17(2)10-12-19/h17-21H,3-16H2,1-2H3
InChIKeyPWKYXVQKVXJRID-UHFFFAOYSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.63
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide?
The IUPAC name of N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide (CID 140622009) is N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide is CCC1CCC(CN(C(=O)COC2CCC(C)CC2)C2CCCCC2)S1.
What is the InChIKey of N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide?
The InChIKey is PWKYXVQKVXJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2S/c1-3-20-13-14-21(26-20)15-23(18-7-5-4-6-8-18)22(24)16-25-19-11-9-17(2)10-12-19/h17-21H,3-16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide?
N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide has a molecular weight of 381.63 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide is sourced from PubChem (CID 140622009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).