[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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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).