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

C20H34ClNO2S — CID 140621953

IUPACN-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2Cl)CC1
InChIInChI=1S/C20H34ClNO2S/c1-15-8-10-16(11-9-15)24-14-20(23)22(13-17-5-4-12-25-17)19-7-3-2-6-18(19)21/h15-19H,2-14H2,1H3
InChIKeyJBHUZXXPCKRHOA-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.86
Rot. Bonds6

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

N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621953) has the molecular formula C20H34ClNO2S and a molecular weight of 388.02 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621953
Molecular FormulaC20H34ClNO2S
Molecular Weight388.02 g/mol
Exact Mass387.20
IUPAC NameN-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2Cl)CC1
InChIInChI=1S/C20H34ClNO2S/c1-15-8-10-16(11-9-15)24-14-20(23)22(13-17-5-4-12-25-17)19-7-3-2-6-18(19)21/h15-19H,2-14H2,1H3
InChIKeyJBHUZXXPCKRHOA-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140622010
2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140622055
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiolan-2-ylmethyl)acetamide
CID 140622021
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide
CID 140622067
N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621968
2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 135208172
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-propan-2-ylacetamide
CID 140621937
N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide
CID 163441915
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
N-acetyl-N-[(1R,2R)-2-chlorocyclohexyl]acetamide
CID 13273722
N-cyclopropyl-N-ethyl-2-(4-hydroxycyclohexyl)oxyacetamide
CID 113414290
2-(4-methylphenoxy)-N-propyl-N-(thiolan-2-ylmethyl)acetamide
CID 123678594

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140621953) is N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2Cl)CC1.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is JBHUZXXPCKRHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClNO2S/c1-15-8-10-16(11-9-15)24-14-20(23)22(13-17-5-4-12-25-17)19-7-3-2-6-18(19)21/h15-19H,2-14H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 388.02 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).