N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C18H27NO2S — CID 71782116

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H27NO2S/c20-15(14-7-2-1-3-8-14)13-19-17(21)18(10-4-5-11-18)16-9-6-12-22-16/h6,9,12,14-15,20H,1-5,7-8,10-11,13H2,(H,19,21)
InChIKeyLHHKCWUWDMELJV-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.62
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71782116) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71782116
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C18H27NO2S/c20-15(14-7-2-1-3-8-14)13-19-17(21)18(10-4-5-11-18)16-9-6-12-22-16/h6,9,12,14-15,20H,1-5,7-8,10-11,13H2,(H,19,21)
InChIKeyLHHKCWUWDMELJV-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71782116) is N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC(O)C1CCCCC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is LHHKCWUWDMELJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c20-15(14-7-2-1-3-8-14)13-19-17(21)18(10-4-5-11-18)16-9-6-12-22-16/h6,9,12,14-15,20H,1-5,7-8,10-11,13H2,(H,19,21).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71782116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).