(2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate

C19H24N2O5S — CID 2997998

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H24N2O5S/c22-17(21-9-11-25-12-10-21)13-26-19(24)15-5-1-2-6-16(15)27-14-18(23)20-7-3-4-8-20/h1-2,5-6H,3-4,7-14H2
InChIKeyFSGXHHIBCUZJSZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.42
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate (PubChem CID 2997998) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
PubChem CID2997998
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H24N2O5S/c22-17(21-9-11-25-12-10-21)13-26-19(24)15-5-1-2-6-16(15)27-14-18(23)20-7-3-4-8-20/h1-2,5-6H,3-4,7-14H2
InChIKeyFSGXHHIBCUZJSZ-UHFFFAOYSA-N
XLogP1.42
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate (CID 2997998) is (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate is O=C(OCC(=O)N1CCOCC1)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate?
The InChIKey is FSGXHHIBCUZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c22-17(21-9-11-25-12-10-21)13-26-19(24)15-5-1-2-6-16(15)27-14-18(23)20-7-3-4-8-20/h1-2,5-6H,3-4,7-14H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate has a molecular weight of 392.48 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate is sourced from PubChem (CID 2997998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).