N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide

C13H18ClNO2S — CID 114147866

IUPACN-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC2CCC(Cl)CC2)c1
InChIInChI=1S/C13H18ClNO2S/c1-17-11-6-12(18-8-11)13(16)15-7-9-2-4-10(14)5-3-9/h6,8-10H,2-5,7H2,1H3,(H,15,16)
InChIKeyZENDHDCPBJBZNH-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.28
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide

N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 114147866) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
PubChem CID114147866
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCC2CCC(Cl)CC2)c1
InChIInChI=1S/C13H18ClNO2S/c1-17-11-6-12(18-8-11)13(16)15-7-9-2-4-10(14)5-3-9/h6,8-10H,2-5,7H2,1H3,(H,15,16)
InChIKeyZENDHDCPBJBZNH-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

N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(2-chloro-3-ethylpentyl)-4-methoxythiophene-2-carboxamide
CID 114168656
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
CID 81121283
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide (CID 114147866) is N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCC2CCC(Cl)CC2)c1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is ZENDHDCPBJBZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-17-11-6-12(18-8-11)13(16)15-7-9-2-4-10(14)5-3-9/h6,8-10H,2-5,7H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide?
N-[(4-chlorocyclohexyl)methyl]-4-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-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 114147866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).