3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide

C12H16F2N2O2S — CID 56790600

IUPAC3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC2CCN(C)C2)s1
InChIInChI=1S/C12H16F2N2O2S/c1-7-5-9(18-12(13)14)10(19-7)11(17)15-8-3-4-16(2)6-8/h5,8,12H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyVYQFAZNHWTUNLI-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.09
Rot. Bonds4

About 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide

3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide (PubChem CID 56790600) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide
PubChem CID56790600
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC2CCN(C)C2)s1
InChIInChI=1S/C12H16F2N2O2S/c1-7-5-9(18-12(13)14)10(19-7)11(17)15-8-3-4-16(2)6-8/h5,8,12H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyVYQFAZNHWTUNLI-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide (CID 56790600) is 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)NC2CCN(C)C2)s1.
What is the InChIKey of 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide?
The InChIKey is VYQFAZNHWTUNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-7-5-9(18-12(13)14)10(19-7)11(17)15-8-3-4-16(2)6-8/h5,8,12H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide?
3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56790600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).