N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide

C14H14F3NO3S — CID 21179794

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide
SMILESCCc1ccccc1N(C(=O)C(F)(F)F)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H14F3NO3S/c1-2-10-5-3-4-6-12(10)18(13(19)14(15,16)17)11-7-8-22(20,21)9-11/h3-8,11H,2,9H2,1H3
InChIKeyVZCYTNGWNIHLKT-UHFFFAOYSA-N
MW333.33 g/mol
LogP2.45
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 21179794) has the molecular formula C14H14F3NO3S and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide
PubChem CID21179794
Molecular FormulaC14H14F3NO3S
Molecular Weight333.33 g/mol
Exact Mass333.06
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide
SMILESCCc1ccccc1N(C(=O)C(F)(F)F)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H14F3NO3S/c1-2-10-5-3-4-6-12(10)18(13(19)14(15,16)17)11-7-8-22(20,21)9-11/h3-8,11H,2,9H2,1H3
InChIKeyVZCYTNGWNIHLKT-UHFFFAOYSA-N
XLogP2.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2,2,2-trifluoro-N-(2-methoxyphenyl)acetamide
CID 1415248
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(2-ethylphenyl)-3-methylbenzamide
CID 40642877
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide
CID 18554272
2,2,2-trichloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylphenyl)acetamide
CID 21179846
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylcarbamate
CID 102566492
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 43954742
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(trifluoromethyl)benzamide
CID 40505646
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide
CID 1243624
N-(2,3-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 1306058
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide (CID 21179794) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide is CCc1ccccc1N(C(=O)C(F)(F)F)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is VZCYTNGWNIHLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S/c1-2-10-5-3-4-6-12(10)18(13(19)14(15,16)17)11-7-8-22(20,21)9-11/h3-8,11H,2,9H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 333.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21179794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).