[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

C20H24N2O7S2 — CID 4118926

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C20H24N2O7S2/c1-2-28-16-5-3-15(4-6-16)21-18(23)14-29-19(24)13-17-7-8-20(30-17)31(25,26)22-9-11-27-12-10-22/h3-8H,2,9-14H2,1H3,(H,21,23)
InChIKeyLTTZPHQYBPVXJP-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.89
Rot. Bonds9

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (PubChem CID 4118926) has the molecular formula C20H24N2O7S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
PubChem CID4118926
Molecular FormulaC20H24N2O7S2
Molecular Weight468.55 g/mol
Exact Mass468.10
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C20H24N2O7S2/c1-2-28-16-5-3-15(4-6-16)21-18(23)14-29-19(24)13-17-7-8-20(30-17)31(25,26)22-9-11-27-12-10-22/h3-8H,2,9-14H2,1H3,(H,21,23)
InChIKeyLTTZPHQYBPVXJP-UHFFFAOYSA-N
XLogP1.89
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate (CID 4118926) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is CCOc1ccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is LTTZPHQYBPVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S2/c1-2-28-16-5-3-15(4-6-16)21-18(23)14-29-19(24)13-17-7-8-20(30-17)31(25,26)22-9-11-27-12-10-22/h3-8H,2,9-14H2,1H3,(H,21,23).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 468.55 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 4118926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).