[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

C20H24N2O6S2 — CID 2368235

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESCOc1ccccc1NC(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C20H24N2O6S2/c1-27-17-8-4-3-7-16(17)21-18(23)14-28-19(24)13-15-9-10-20(29-15)30(25,26)22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,21,23)
InChIKeyYPDBHECWELUKOD-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.66
Rot. Bonds8

About [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (PubChem CID 2368235) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
PubChem CID2368235
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESCOc1ccccc1NC(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C20H24N2O6S2/c1-27-17-8-4-3-7-16(17)21-18(23)14-28-19(24)13-15-9-10-20(29-15)30(25,26)22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,21,23)
InChIKeyYPDBHECWELUKOD-UHFFFAOYSA-N
XLogP2.66
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 4843731
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16275216
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-cyclohexyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2089888
N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide
CID 2355897
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2364061
[2-(4-Methoxyanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2369535
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 2372951
1-[2-[4-[Methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
CID 2373159
N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 2402591

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (CID 2368235) is [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is COc1ccccc1NC(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is YPDBHECWELUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-27-17-8-4-3-7-16(17)21-18(23)14-28-19(24)13-15-9-10-20(29-15)30(25,26)22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,21,23).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 452.55 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 2368235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).