3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide

C11H15F2NO2S2 — CID 111698041

IUPAC3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1sccc1SC(F)F
InChIInChI=1S/C11H15F2NO2S2/c1-11(2,16)6-14(3)9(15)8-7(4-5-17-8)18-10(12)13/h4-5,10,16H,6H2,1-3H3
InChIKeyPZAWQASJJKLXDW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.91
Rot. Bonds5

About 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide

3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide (PubChem CID 111698041) has the molecular formula C11H15F2NO2S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide
PubChem CID111698041
Molecular FormulaC11H15F2NO2S2
Molecular Weight295.38 g/mol
Exact Mass295.05
IUPAC Name3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1sccc1SC(F)F
InChIInChI=1S/C11H15F2NO2S2/c1-11(2,16)6-14(3)9(15)8-7(4-5-17-8)18-10(12)13/h4-5,10,16H,6H2,1-3H3
InChIKeyPZAWQASJJKLXDW-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide (CID 111698041) is 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide is CN(CC(C)(C)O)C(=O)c1sccc1SC(F)F.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide?
The InChIKey is PZAWQASJJKLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S2/c1-11(2,16)6-14(3)9(15)8-7(4-5-17-8)18-10(12)13/h4-5,10,16H,6H2,1-3H3.
What are the key properties of 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide?
3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 111698041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).