5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide

C12H17NO2S — CID 78957474

IUPAC5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2(C)COC2)s1
InChIInChI=1S/C12H17NO2S/c1-3-9-4-5-10(16-9)11(14)13-6-12(2)7-15-8-12/h4-5H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyWYNKJUSPIKLWGP-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.08
Rot. Bonds4

About 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide

5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 78957474) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide
PubChem CID78957474
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2(C)COC2)s1
InChIInChI=1S/C12H17NO2S/c1-3-9-4-5-10(16-9)11(14)13-6-12(2)7-15-8-12/h4-5H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyWYNKJUSPIKLWGP-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-[(3-methyloxetan-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78957753
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
3-(4-ethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]prop-2-enamide
CID 78956577
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822
2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956982
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide (CID 78957474) is 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide is CCc1ccc(C(=O)NCC2(C)COC2)s1.
What is the InChIKey of 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is WYNKJUSPIKLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-9-4-5-10(16-9)11(14)13-6-12(2)7-15-8-12/h4-5H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide?
5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 78957474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).