3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide

C13H18F2N2O2S — CID 120555716

IUPAC3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC2CCNCC2C)s1
InChIInChI=1S/C13H18F2N2O2S/c1-7-6-16-4-3-9(7)17-12(18)11-10(19-13(14)15)5-8(2)20-11/h5,7,9,13,16H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyZMAFQPUVZPWKAC-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.39
Rot. Bonds4

About 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide

3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 120555716) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID120555716
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC2CCNCC2C)s1
InChIInChI=1S/C13H18F2N2O2S/c1-7-6-16-4-3-9(7)17-12(18)11-10(19-13(14)15)5-8(2)20-11/h5,7,9,13,16H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyZMAFQPUVZPWKAC-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
[(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-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120555972
5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557472
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
5-ethyl-4-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120553990
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 120555716) is 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)NC2CCNCC2C)s1.
What is the InChIKey of 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is ZMAFQPUVZPWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-7-6-16-4-3-9(7)17-12(18)11-10(19-13(14)15)5-8(2)20-11/h5,7,9,13,16H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide?
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.39, 4 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-(3-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 120555716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).