ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate

C20H23N3O4S — CID 135564031

IUPACethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(N2CCOCC2)nc1SCC(N)=O
InChIInChI=1S/C20H23N3O4S/c1-2-27-20(25)18-15(14-6-4-3-5-7-14)12-17(23-8-10-26-11-9-23)22-19(18)28-13-16(21)24/h3-7,12H,2,8-11,13H2,1H3,(H2,21,24)
InChIKeyPSXYJZPMAFWGMB-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.34
Rot. Bonds7

About ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate

ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate (PubChem CID 135564031) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate
PubChem CID135564031
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Nameethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(N2CCOCC2)nc1SCC(N)=O
InChIInChI=1S/C20H23N3O4S/c1-2-27-20(25)18-15(14-6-4-3-5-7-14)12-17(23-8-10-26-11-9-23)22-19(18)28-13-16(21)24/h3-7,12H,2,8-11,13H2,1H3,(H2,21,24)
InChIKeyPSXYJZPMAFWGMB-UHFFFAOYSA-N
XLogP2.34
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate (CID 135564031) is ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc(N2CCOCC2)nc1SCC(N)=O.
What is the InChIKey of ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate?
The InChIKey is PSXYJZPMAFWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-27-20(25)18-15(14-6-4-3-5-7-14)12-17(23-8-10-26-11-9-23)22-19(18)28-13-16(21)24/h3-7,12H,2,8-11,13H2,1H3,(H2,21,24).
What are the key properties of ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate?
ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate has a molecular weight of 401.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 135564031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).