4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide

C16H25NO2S — CID 62528051

IUPAC4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC2(CO)CCC(C)CC2)sc1C
InChIInChI=1S/C16H25NO2S/c1-4-13-9-14(20-12(13)3)15(19)17-16(10-18)7-5-11(2)6-8-16/h9,11,18H,4-8,10H2,1-3H3,(H,17,19)
InChIKeySUOCADSPUNSVDQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.29
Rot. Bonds4

About 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide (PubChem CID 62528051) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide
PubChem CID62528051
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC2(CO)CCC(C)CC2)sc1C
InChIInChI=1S/C16H25NO2S/c1-4-13-9-14(20-12(13)3)15(19)17-16(10-18)7-5-11(2)6-8-16/h9,11,18H,4-8,10H2,1-3H3,(H,17,19)
InChIKeySUOCADSPUNSVDQ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
4,5-dibromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiophene-2-carboxamide
CID 62525616
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 62525440
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 62525954
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 62526454
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide (CID 62528051) is 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NC2(CO)CCC(C)CC2)sc1C.
What is the InChIKey of 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide?
The InChIKey is SUOCADSPUNSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-13-9-14(20-12(13)3)15(19)17-16(10-18)7-5-11(2)6-8-16/h9,11,18H,4-8,10H2,1-3H3,(H,17,19).
What are the key properties of 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 62528051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).