2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C20H17F4N3O3S2 — CID 92669299

IUPAC2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F4N3O3S2/c21-12-5-7-13(8-6-12)27(19-26-16-10-32(29,30)11-17(16)31-19)9-18(28)25-15-4-2-1-3-14(15)20(22,23)24/h1-8,16-17H,9-11H2,(H,25,28)/t16-,17+/m1/s1
InChIKeyYVYHEOVKQSEAAC-SJORKVTESA-N
MW487.50 g/mol
LogP3.56
Rot. Bonds4

About 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 92669299) has the molecular formula C20H17F4N3O3S2 and a molecular weight of 487.50 g/mol. Its IUPAC name is 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID92669299
Molecular FormulaC20H17F4N3O3S2
Molecular Weight487.50 g/mol
Exact Mass487.06
IUPAC Name2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F4N3O3S2/c21-12-5-7-13(8-6-12)27(19-26-16-10-32(29,30)11-17(16)31-19)9-18(28)25-15-4-2-1-3-14(15)20(22,23)24/h1-8,16-17H,9-11H2,(H,25,28)/t16-,17+/m1/s1
InChIKeyYVYHEOVKQSEAAC-SJORKVTESA-N
XLogP3.56
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3,4-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 92669327
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 92701743
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 6591963
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 23603694
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 23603820
2-(N-[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylanilino)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 2137546
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1252073
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1339403
2-(N-[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-chloroanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129426071
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
(3aR,6aR)-N-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 92901727
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 92669299) is 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YVYHEOVKQSEAAC-SJORKVTESA-N. The full InChI is InChI=1S/C20H17F4N3O3S2/c21-12-5-7-13(8-6-12)27(19-26-16-10-32(29,30)11-17(16)31-19)9-18(28)25-15-4-2-1-3-14(15)20(22,23)24/h1-8,16-17H,9-11H2,(H,25,28)/t16-,17+/m1/s1.
What are the key properties of 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 487.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 92669299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).