3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide

C10H14F2N2O2S — CID 119504399

IUPAC3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCNC(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-6-5-7(16-10(11)12)8(17-6)9(15)14-4-3-13-2/h5,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyGLLPNQRSKFSXGX-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.61
Rot. Bonds6

About 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide

3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (PubChem CID 119504399) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
PubChem CID119504399
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCNC(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-6-5-7(16-10(11)12)8(17-6)9(15)14-4-3-13-2/h5,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyGLLPNQRSKFSXGX-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.61
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

N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
CID 119499716
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
4-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173000
3-(difluoromethoxy)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-methylthiophene-2-carboxamide
CID 99811100
3-(difluoromethoxy)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide
CID 96547519
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120555716
methyl (3R)-3-[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]oxolane-3-carboxylate
CID 96537791
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 120657272
[4-(pyridin-4-ylmethoxy)phenyl] 3-(difluoromethoxy)-5-methylthiophene-2-carboxylate
CID 86952660
tert-butyl N-[2-[(3,5-dimethylthiophene-2-carbonyl)amino]ethyl]carbamate
CID 58458787
2-[1-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178331
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (CID 119504399) is 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is CNCCNC(=O)c1sc(C)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is GLLPNQRSKFSXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-6-5-7(16-10(11)12)8(17-6)9(15)14-4-3-13-2/h5,10,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119504399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).