N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide

C13H18ClNO2S — CID 102638182

IUPACN-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)C2CCCCC2Cl)c1
InChIInChI=1S/C13H18ClNO2S/c1-15(11-6-4-3-5-10(11)14)13(16)12-7-9(17-2)8-18-12/h7-8,10-11H,3-6H2,1-2H3
InChIKeyJWRDTDKLNUZGOZ-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.38
Rot. Bonds3

About N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide

N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 102638182) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID102638182
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)C2CCCCC2Cl)c1
InChIInChI=1S/C13H18ClNO2S/c1-15(11-6-4-3-5-10(11)14)13(16)12-7-9(17-2)8-18-12/h7-8,10-11H,3-6H2,1-2H3
InChIKeyJWRDTDKLNUZGOZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 81122595
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766
N-(2-chlorocyclohexyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 102638117
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317
N-(2,6-dichlorophenyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 71910459
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 102638149
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-(3-hydroxyphenyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 107735872
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide (CID 102638182) is N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)C2CCCCC2Cl)c1.
What is the InChIKey of N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is JWRDTDKLNUZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-15(11-6-4-3-5-10(11)14)13(16)12-7-9(17-2)8-18-12/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide?
N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 287.81 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 102638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).