N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide

C17H20N2O2S — CID 91625964

IUPACN-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H20N2O2S/c20-16(12-15-4-3-11-22-15)19-13-6-8-14(9-7-13)21-17-5-1-2-10-18-17/h1-5,10-11,13-14H,6-9,12H2,(H,19,20)
InChIKeyYVYDGVVHSHTCJX-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.19
Rot. Bonds5

About N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide

N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide (PubChem CID 91625964) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide
PubChem CID91625964
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H20N2O2S/c20-16(12-15-4-3-11-22-15)19-13-6-8-14(9-7-13)21-17-5-1-2-10-18-17/h1-5,10-11,13-14H,6-9,12H2,(H,19,20)
InChIKeyYVYDGVVHSHTCJX-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide (CID 91625964) is N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCC(Oc2ccccn2)CC1.
What is the InChIKey of N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide?
The InChIKey is YVYDGVVHSHTCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16(12-15-4-3-11-22-15)19-13-6-8-14(9-7-13)21-17-5-1-2-10-18-17/h1-5,10-11,13-14H,6-9,12H2,(H,19,20).
What are the key properties of N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide?
N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide has a molecular weight of 316.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yloxycyclohexyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91625964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).