3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide

C10H14F2N2O2S — CID 119434283

IUPAC3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
SMILESCNCCCNC(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-13-4-2-5-14-9(15)8-7(3-6-17-8)16-10(11)12/h3,6,10,13H,2,4-5H2,1H3,(H,14,15)
InChIKeyYPWNQFRXERDLFW-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.69
Rot. Bonds7

About 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide

3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide (PubChem CID 119434283) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
PubChem CID119434283
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
SMILESCNCCCNC(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-13-4-2-5-14-9(15)8-7(3-6-17-8)16-10(11)12/h3,6,10,13H,2,4-5H2,1H3,(H,14,15)
InChIKeyYPWNQFRXERDLFW-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 119429867
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
CID 95905718
3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119504399
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95901689
[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119547026
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119459623

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide (CID 119434283) is 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide is CNCCCNC(=O)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide?
The InChIKey is YPWNQFRXERDLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-13-4-2-5-14-9(15)8-7(3-6-17-8)16-10(11)12/h3,6,10,13H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide?
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 119434283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).