N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide

C13H18ClNO2S — CID 113272650

IUPACN-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1CCCCC1Cl
InChIInChI=1S/C13H18ClNO2S/c1-17-11-6-7-18-12(11)13(16)15-8-9-4-2-3-5-10(9)14/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)
InChIKeyFJGGNESUWFGYDA-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.28
Rot. Bonds4

About N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide

N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 113272650) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
PubChem CID113272650
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1CCCCC1Cl
InChIInChI=1S/C13H18ClNO2S/c1-17-11-6-7-18-12(11)13(16)15-8-9-4-2-3-5-10(9)14/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)
InChIKeyFJGGNESUWFGYDA-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97064441
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 113272683
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide
CID 71980194
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-(2-chloro-3-ethylpentyl)-3-methoxythiophene-2-carboxamide
CID 114168687
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide (CID 113272650) is N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is FJGGNESUWFGYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-17-11-6-7-18-12(11)13(16)15-8-9-4-2-3-5-10(9)14/h6-7,9-10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide?
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 113272650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).