N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide

C14H21NO2S — CID 71782112

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-13(11-5-2-1-3-6-11)10-15-14(17)9-12-7-4-8-18-12/h4,7-8,11,13,16H,1-3,5-6,9-10H2,(H,15,17)
InChIKeyZXKCQUSQJNKCGJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.35
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide (PubChem CID 71782112) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide
PubChem CID71782112
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-13(11-5-2-1-3-6-11)10-15-14(17)9-12-7-4-8-18-12/h4,7-8,11,13,16H,1-3,5-6,9-10H2,(H,15,17)
InChIKeyZXKCQUSQJNKCGJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.35
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)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide (CID 71782112) is N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC(O)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZXKCQUSQJNKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-13(11-5-2-1-3-6-11)10-15-14(17)9-12-7-4-8-18-12/h4,7-8,11,13,16H,1-3,5-6,9-10H2,(H,15,17).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-thiophen-2-ylacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.35, 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)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71782112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).