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

C11H13F2NO3S2 — CID 71867296

IUPAC3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC2CCS(=O)C2)s1
InChIInChI=1S/C11H13F2NO3S2/c1-6-4-8(17-11(12)13)9(18-6)10(15)14-7-2-3-19(16)5-7/h4,7,11H,2-3,5H2,1H3,(H,14,15)
InChIKeyYPHYXLFTNUIHIU-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.91
Rot. Bonds4

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

3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide (PubChem CID 71867296) has the molecular formula C11H13F2NO3S2 and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide
PubChem CID71867296
Molecular FormulaC11H13F2NO3S2
Molecular Weight309.36 g/mol
Exact Mass309.03
IUPAC Name3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)NC2CCS(=O)C2)s1
InChIInChI=1S/C11H13F2NO3S2/c1-6-4-8(17-11(12)13)9(18-6)10(15)14-7-2-3-19(16)5-7/h4,7,11H,2-3,5H2,1H3,(H,14,15)
InChIKeyYPHYXLFTNUIHIU-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.91
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-oxothiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide (CID 71867296) is 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)NC2CCS(=O)C2)s1.
What is the InChIKey of 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is YPHYXLFTNUIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S2/c1-6-4-8(17-11(12)13)9(18-6)10(15)14-7-2-3-19(16)5-7/h4,7,11H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide?
3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 1.91, 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-oxothiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71867296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).