N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide

C21H37NO2S — CID 140622067

IUPACN-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide
SMILESCC1CCC(OCC(=O)N(CC2SCCC2C)C2CCCCC2)CC1
InChIInChI=1S/C21H37NO2S/c1-16-8-10-19(11-9-16)24-15-21(23)22(18-6-4-3-5-7-18)14-20-17(2)12-13-25-20/h16-20H,3-15H2,1-2H3
InChIKeyUELVOENCPGWLFN-UHFFFAOYSA-N
MW367.60 g/mol
LogP4.88
Rot. Bonds6

About N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide

N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide (PubChem CID 140622067) has the molecular formula C21H37NO2S and a molecular weight of 367.60 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide
PubChem CID140622067
Molecular FormulaC21H37NO2S
Molecular Weight367.60 g/mol
Exact Mass367.25
IUPAC NameN-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide
SMILESCC1CCC(OCC(=O)N(CC2SCCC2C)C2CCCCC2)CC1
InChIInChI=1S/C21H37NO2S/c1-16-8-10-19(11-9-16)24-15-21(23)22(18-6-4-3-5-7-18)14-20-17(2)12-13-25-20/h16-20H,3-15H2,1-2H3
InChIKeyUELVOENCPGWLFN-UHFFFAOYSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 54.88
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-[(3-methylthiolan-2-yl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide (CID 140622067) is N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide is CC1CCC(OCC(=O)N(CC2SCCC2C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide?
The InChIKey is UELVOENCPGWLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2S/c1-16-8-10-19(11-9-16)24-15-21(23)22(18-6-4-3-5-7-18)14-20-17(2)12-13-25-20/h16-20H,3-15H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide?
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide has a molecular weight of 367.60 g/mol, XLogP of 4.88, 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-[(3-methylthiolan-2-yl)methyl]acetamide is sourced from PubChem (CID 140622067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).