N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide

C12H17NO2S — CID 91905149

IUPACN-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1CCOCC1
InChIInChI=1S/C12H17NO2S/c14-12(7-11-3-6-16-9-11)13-8-10-1-4-15-5-2-10/h3,6,9-10H,1-2,4-5,7-8H2,(H,13,14)
InChIKeyWPLBMAQZNVRTRO-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.83
Rot. Bonds4

About N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide

N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 91905149) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide
PubChem CID91905149
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1CCOCC1
InChIInChI=1S/C12H17NO2S/c14-12(7-11-3-6-16-9-11)13-8-10-1-4-15-5-2-10/h3,6,9-10H,1-2,4-5,7-8H2,(H,13,14)
InChIKeyWPLBMAQZNVRTRO-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide (CID 91905149) is N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is WPLBMAQZNVRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(7-11-3-6-16-9-11)13-8-10-1-4-15-5-2-10/h3,6,9-10H,1-2,4-5,7-8H2,(H,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91905149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).