[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H19N3O5S — CID 7627911

IUPAC[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cn1
InChIInChI=1S/C18H19N3O5S/c1-12-9-20-14(10-19-12)18(24)26-11-15(22)16-3-2-13(27-16)8-17(23)21-4-6-25-7-5-21/h2-3,9-10H,4-8,11H2,1H3
InChIKeyWBWIGBUCVSVVSQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.29
Rot. Bonds6

About [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7627911) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7627911
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cn1
InChIInChI=1S/C18H19N3O5S/c1-12-9-20-14(10-19-12)18(24)26-11-15(22)16-3-2-13(27-16)8-17(23)21-4-6-25-7-5-21/h2-3,9-10H,4-8,11H2,1H3
InChIKeyWBWIGBUCVSVVSQ-UHFFFAOYSA-N
XLogP1.29
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7627911) is [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cn1.
What is the InChIKey of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is WBWIGBUCVSVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-9-20-14(10-19-12)18(24)26-11-15(22)16-3-2-13(27-16)8-17(23)21-4-6-25-7-5-21/h2-3,9-10H,4-8,11H2,1H3.
What are the key properties of [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7627911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).