5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide

C12H17NO2S — CID 17191153

IUPAC5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCO2)cs1
InChIInChI=1S/C12H17NO2S/c1-2-11-6-9(8-16-11)12(14)13-7-10-4-3-5-15-10/h6,8,10H,2-5,7H2,1H3,(H,13,14)
InChIKeyUCDUQZAIROGGFZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.22
Rot. Bonds4

About 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide

5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 17191153) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
PubChem CID17191153
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCO2)cs1
InChIInChI=1S/C12H17NO2S/c1-2-11-6-9(8-16-11)12(14)13-7-10-4-3-5-15-10/h6,8,10H,2-5,7H2,1H3,(H,13,14)
InChIKeyUCDUQZAIROGGFZ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
3-[4-(oxan-2-ylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79691181
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide (CID 17191153) is 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide is CCc1cc(C(=O)NCC2CCCO2)cs1.
What is the InChIKey of 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is UCDUQZAIROGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-11-6-9(8-16-11)12(14)13-7-10-4-3-5-15-10/h6,8,10H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 17191153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).