N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide

C13H19NO3S — CID 113340475

IUPACN-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C13H19NO3S/c1-17-10-6-12(18-8-10)13(16)14-11-5-3-2-4-9(11)7-15/h6,8-9,11,15H,2-5,7H2,1H3,(H,14,16)
InChIKeyLVQRTSNNTMBZAL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.04
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide (PubChem CID 113340475) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
PubChem CID113340475
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C13H19NO3S/c1-17-10-6-12(18-8-10)13(16)14-11-5-3-2-4-9(11)7-15/h6,8-9,11,15H,2-5,7H2,1H3,(H,14,16)
InChIKeyLVQRTSNNTMBZAL-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
4-methoxy-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 104645591
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
3-[(4-methoxythiophene-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 81127651
4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
CID 119600925

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide (CID 113340475) is N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC2CCCCC2CO)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is LVQRTSNNTMBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-10-6-12(18-8-10)13(16)14-11-5-3-2-4-9(11)7-15/h6,8-9,11,15H,2-5,7H2,1H3,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 113340475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).