2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C13H12F3NO4S — CID 17410193

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO4S/c14-13(15,16)21-11-3-1-10(2-4-11)17-12(18)7-9-5-6-22(19,20)8-9/h1-6,9H,7-8H2,(H,17,18)
InChIKeyQGAIWRBXCYDAFB-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.47
Rot. Bonds4

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 17410193) has the molecular formula C13H12F3NO4S and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID17410193
Molecular FormulaC13H12F3NO4S
Molecular Weight335.30 g/mol
Exact Mass335.04
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO4S/c14-13(15,16)21-11-3-1-10(2-4-11)17-12(18)7-9-5-6-22(19,20)8-9/h1-6,9H,7-8H2,(H,17,18)
InChIKeyQGAIWRBXCYDAFB-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide
CID 1382298
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735361
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 107020504
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5010640
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 17410193) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CC1C=CS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is QGAIWRBXCYDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4S/c14-13(15,16)21-11-3-1-10(2-4-11)17-12(18)7-9-5-6-22(19,20)8-9/h1-6,9H,7-8H2,(H,17,18).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 335.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 17410193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).