3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide

C16H25NO2S — CID 65119469

IUPAC3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H25NO2S/c1-4-12-5-10-20-13(12)14(18)17-11-16(19)8-6-15(2,3)7-9-16/h5,10,19H,4,6-9,11H2,1-3H3,(H,17,18)
InChIKeyYBJAXBQYFITYAW-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.37
Rot. Bonds4

About 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide

3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide (PubChem CID 65119469) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
PubChem CID65119469
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H25NO2S/c1-4-12-5-10-20-13(12)14(18)17-11-16(19)8-6-15(2,3)7-9-16/h5,10,19H,4,6-9,11H2,1-3H3,(H,17,18)
InChIKeyYBJAXBQYFITYAW-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
CID 103849185
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 129486594

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide (CID 65119469) is 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide?
The InChIKey is YBJAXBQYFITYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-12-5-10-20-13(12)14(18)17-11-16(19)8-6-15(2,3)7-9-16/h5,10,19H,4,6-9,11H2,1-3H3,(H,17,18).
What are the key properties of 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide?
3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 65119469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).