2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide

C17H16N2O4S — CID 2817123

IUPAC2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C17H16N2O4S/c20-14(9-19-5-7-22-8-6-19)18-16-15-12(10-24-16)11-3-1-2-4-13(11)23-17(15)21/h1-4,10H,5-9H2,(H,18,20)
InChIKeyXOWZKPYPXCZBHF-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.28
Rot. Bonds3

About 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide

2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide (PubChem CID 2817123) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
PubChem CID2817123
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C17H16N2O4S/c20-14(9-19-5-7-22-8-6-19)18-16-15-12(10-24-16)11-3-1-2-4-13(11)23-17(15)21/h1-4,10H,5-9H2,(H,18,20)
InChIKeyXOWZKPYPXCZBHF-UHFFFAOYSA-N
XLogP2.28
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide (CID 2817123) is 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide is O=C(CN1CCOCC1)Nc1scc2c1c(=O)oc1ccccc12.
What is the InChIKey of 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
The InChIKey is XOWZKPYPXCZBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-14(9-19-5-7-22-8-6-19)18-16-15-12(10-24-16)11-3-1-2-4-13(11)23-17(15)21/h1-4,10H,5-9H2,(H,18,20).
What are the key properties of 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide?
2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide is sourced from PubChem (CID 2817123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).