N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride

C13H19ClF2N2O2S — CID 154578100

IUPACN-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2sccc2OC(F)F)CCCCC1
InChIInChI=1S/C13H18F2N2O2S.ClH/c14-12(15)19-9-4-7-20-10(9)11(18)17-8-13(16)5-2-1-3-6-13;/h4,7,12H,1-3,5-6,8,16H2,(H,17,18);1H
InChIKeyHFZYSQGBPRNEKG-UHFFFAOYSA-N
MW340.82 g/mol
LogP3.16
Rot. Bonds5

About N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride (PubChem CID 154578100) has the molecular formula C13H19ClF2N2O2S and a molecular weight of 340.82 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
PubChem CID154578100
Molecular FormulaC13H19ClF2N2O2S
Molecular Weight340.82 g/mol
Exact Mass340.08
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2sccc2OC(F)F)CCCCC1
InChIInChI=1S/C13H18F2N2O2S.ClH/c14-12(15)19-9-4-7-20-10(9)11(18)17-8-13(16)5-2-1-3-6-13;/h4,7,12H,1-3,5-6,8,16H2,(H,17,18);1H
InChIKeyHFZYSQGBPRNEKG-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
CID 95331806
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 115456415
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454350

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride (CID 154578100) is N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride is Cl.NC1(CNC(=O)c2sccc2OC(F)F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
The InChIKey is HFZYSQGBPRNEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S.ClH/c14-12(15)19-9-4-7-20-10(9)11(18)17-8-13(16)5-2-1-3-6-13;/h4,7,12H,1-3,5-6,8,16H2,(H,17,18);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride has a molecular weight of 340.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 154578100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).