N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide

C12H17NO2S — CID 103993193

IUPACN-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1CCCCO1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-12(11-5-3-9-16-11)13-7-6-10-4-1-2-8-15-10/h3,5,9-10H,1-2,4,6-8H2,(H,13,14)
InChIKeyNFDKGJXECWMTIK-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide

N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 103993193) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID103993193
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1CCCCO1)c1cccs1
InChIInChI=1S/C12H17NO2S/c14-12(11-5-3-9-16-11)13-7-6-10-4-1-2-8-15-10/h3,5,9-10H,1-2,4,6-8H2,(H,13,14)
InChIKeyNFDKGJXECWMTIK-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31400597
2-amino-N-[2-(oxan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 114136015
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
3-[(2S)-oxolan-2-yl]propyl thiophene-2-carboxylate
CID 99822015
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
CID 114135927
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide (CID 103993193) is N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide is O=C(NCCC1CCCCO1)c1cccs1.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is NFDKGJXECWMTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(11-5-3-9-16-11)13-7-6-10-4-1-2-8-15-10/h3,5,9-10H,1-2,4,6-8H2,(H,13,14).
What are the key properties of N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103993193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).