N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide

C15H23NO2S — CID 65123688

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2sccc2C)CC1
InChIInChI=1S/C15H23NO2S/c1-3-12-4-7-15(18,8-5-12)10-16-14(17)13-11(2)6-9-19-13/h6,9,12,18H,3-5,7-8,10H2,1-2H3,(H,16,17)
InChIKeySVPQHICXZUHILM-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.12
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 65123688) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID65123688
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2sccc2C)CC1
InChIInChI=1S/C15H23NO2S/c1-3-12-4-7-15(18,8-5-12)10-16-14(17)13-11(2)6-9-19-13/h6,9,12,18H,3-5,7-8,10H2,1-2H3,(H,16,17)
InChIKeySVPQHICXZUHILM-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119469
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65120198
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65124143
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
CID 115272118

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide (CID 65123688) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide is CCC1CCC(O)(CNC(=O)c2sccc2C)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is SVPQHICXZUHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-12-4-7-15(18,8-5-12)10-16-14(17)13-11(2)6-9-19-13/h6,9,12,18H,3-5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 65123688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).