2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide

C13H20F3NO3S — CID 166203022

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)CC1C=CS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C13H20F3NO3S/c1-12(2,3)7-10(13(14,15)16)17-11(18)6-9-4-5-21(19,20)8-9/h4-5,9-10H,6-8H2,1-3H3,(H,17,18)
InChIKeyCVVORXBWPAPZDA-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.42
Rot. Bonds4

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide (PubChem CID 166203022) has the molecular formula C13H20F3NO3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
PubChem CID166203022
Molecular FormulaC13H20F3NO3S
Molecular Weight327.37 g/mol
Exact Mass327.11
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(NC(=O)CC1C=CS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C13H20F3NO3S/c1-12(2,3)7-10(13(14,15)16)17-11(18)6-9-4-5-21(19,20)8-9/h4-5,9-10H,6-8H2,1-3H3,(H,17,18)
InChIKeyCVVORXBWPAPZDA-UHFFFAOYSA-N
XLogP2.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide (CID 166203022) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide is CC(C)(C)CC(NC(=O)CC1C=CS(=O)(=O)C1)C(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
The InChIKey is CVVORXBWPAPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3S/c1-12(2,3)7-10(13(14,15)16)17-11(18)6-9-4-5-21(19,20)8-9/h4-5,9-10H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide has a molecular weight of 327.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide is sourced from PubChem (CID 166203022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).