4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C13H19NO2S — CID 24684648

IUPAC4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCO2)sc1C
InChIInChI=1S/C13H19NO2S/c1-3-10-7-12(17-9(10)2)13(15)14-8-11-5-4-6-16-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyFUKONFHSBYGMLR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.53
Rot. Bonds4

About 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 24684648) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID24684648
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCO2)sc1C
InChIInChI=1S/C13H19NO2S/c1-3-10-7-12(17-9(10)2)13(15)14-8-11-5-4-6-16-11/h7,11H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyFUKONFHSBYGMLR-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4107004
N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
5-Ethyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191117
N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
6-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3245882
1'-[(5-methyl-2-thienyl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 16188614
5-Methyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191141
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 6467856
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 24684648) is 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is CCc1cc(C(=O)NCC2CCCO2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is FUKONFHSBYGMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-10-7-12(17-9(10)2)13(15)14-8-11-5-4-6-16-11/h7,11H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 24684648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).