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

C12H17NO2S — CID 91905146

IUPACN-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCOCC1
InChIInChI=1S/C12H17NO2S/c14-12(8-11-2-1-7-16-11)13-9-10-3-5-15-6-4-10/h1-2,7,10H,3-6,8-9H2,(H,13,14)
InChIKeyLYZBPXOKLDJJKP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.83
Rot. Bonds4

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

N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 91905146) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID91905146
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCOCC1
InChIInChI=1S/C12H17NO2S/c14-12(8-11-2-1-7-16-11)13-9-10-3-5-15-6-4-10/h1-2,7,10H,3-6,8-9H2,(H,13,14)
InChIKeyLYZBPXOKLDJJKP-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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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2-(2-thienyl)-
CID 531782
1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
N-isopentyl-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7217405
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
N-(3-Butoxypropyl)-2-(2-thienyl)acetamide
CID 2162137
N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 670146
N-[2-(thiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 1508406
2-Thiopheneacetamide, N-isobutyl-
CID 836216
N-butyl-2-thiophen-2-ylacetamide
CID 1819347
2-Thiopheneacetamide, N-pentyl-
CID 2445132
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 71999126

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide (CID 91905146) is N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is LYZBPXOKLDJJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(8-11-2-1-7-16-11)13-9-10-3-5-15-6-4-10/h1-2,7,10H,3-6,8-9H2,(H,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-2-thiophen-2-ylacetamide?
N-(oxan-4-ylmethyl)-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 91905146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).