[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

C20H21F3N2O5S2 — CID 2358150

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O5S2/c21-20(22,23)14-4-6-15(7-5-14)24-17(26)13-30-18(27)12-16-8-9-19(31-16)32(28,29)25-10-2-1-3-11-25/h4-9H,1-3,10-13H2,(H,24,26)
InChIKeyOUQDOTCQVXEHAW-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.67
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (PubChem CID 2358150) has the molecular formula C20H21F3N2O5S2 and a molecular weight of 490.53 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
PubChem CID2358150
Molecular FormulaC20H21F3N2O5S2
Molecular Weight490.53 g/mol
Exact Mass490.08
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O5S2/c21-20(22,23)14-4-6-15(7-5-14)24-17(26)13-30-18(27)12-16-8-9-19(31-16)32(28,29)25-10-2-1-3-11-25/h4-9H,1-3,10-13H2,(H,24,26)
InChIKeyOUQDOTCQVXEHAW-UHFFFAOYSA-N
XLogP3.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2366902
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
[2-(4-Nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4294128
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 4830718
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 18228160
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2358374
(2-Anilino-2-oxoethyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 3466438
[2-(4-Carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 4587317
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4027033

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (CID 2358150) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is OUQDOTCQVXEHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O5S2/c21-20(22,23)14-4-6-15(7-5-14)24-17(26)13-30-18(27)12-16-8-9-19(31-16)32(28,29)25-10-2-1-3-11-25/h4-9H,1-3,10-13H2,(H,24,26).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 490.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 2358150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).