3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide

C13H18ClNO2S — CID 80642461

IUPAC3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2sccc2Cl)CC1
InChIInChI=1S/C13H18ClNO2S/c1-9-2-5-13(17,6-3-9)8-15-12(16)11-10(14)4-7-18-11/h4,7,9,17H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyKVMITNREPLAPJH-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.07
Rot. Bonds3

About 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide (PubChem CID 80642461) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
PubChem CID80642461
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2sccc2Cl)CC1
InChIInChI=1S/C13H18ClNO2S/c1-9-2-5-13(17,6-3-9)8-15-12(16)11-10(14)4-7-18-11/h4,7,9,17H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyKVMITNREPLAPJH-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 103403171
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 129486594
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119469
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
CID 65118919
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide (CID 80642461) is 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide is CC1CCC(O)(CNC(=O)c2sccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
The InChIKey is KVMITNREPLAPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9-2-5-13(17,6-3-9)8-15-12(16)11-10(14)4-7-18-11/h4,7,9,17H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide?
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 80642461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).