[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C20H23N3O7S — CID 2497126

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O7S/c1-2-29-19-17(4-3-9-21-19)20(25)30-14-18(24)22-15-5-7-16(8-6-15)31(26,27)23-10-12-28-13-11-23/h3-9H,2,10-14H2,1H3,(H,22,24)
InChIKeyRREKEANDCZYXOP-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.30
Rot. Bonds8

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2497126) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2497126
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O7S/c1-2-29-19-17(4-3-9-21-19)20(25)30-14-18(24)22-15-5-7-16(8-6-15)31(26,27)23-10-12-28-13-11-23/h3-9H,2,10-14H2,1H3,(H,22,24)
InChIKeyRREKEANDCZYXOP-UHFFFAOYSA-N
XLogP1.30
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2497126) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is RREKEANDCZYXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-2-29-19-17(4-3-9-21-19)20(25)30-14-18(24)22-15-5-7-16(8-6-15)31(26,27)23-10-12-28-13-11-23/h3-9H,2,10-14H2,1H3,(H,22,24).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 449.49 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2497126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).