1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone

C25H24N2O6S — CID 141273176

IUPAC1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone
SMILESCC(=O)C1OCCN(C(=O)Cc2ccco2)C1(C(=O)Cc1ccncc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H24N2O6S/c1-17(28)24-25(22(30)16-20-5-3-13-34-20,21(29)14-18-6-8-26-9-7-18)27(10-12-33-24)23(31)15-19-4-2-11-32-19/h2-9,11,13,24H,10,12,14-16H2,1H3
InChIKeyRHTIKHXJRMVPAJ-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.46
Rot. Bonds9

About 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone

1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone (PubChem CID 141273176) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone
PubChem CID141273176
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone
SMILESCC(=O)C1OCCN(C(=O)Cc2ccco2)C1(C(=O)Cc1ccncc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H24N2O6S/c1-17(28)24-25(22(30)16-20-5-3-13-34-20,21(29)14-18-6-8-26-9-7-18)27(10-12-33-24)23(31)15-19-4-2-11-32-19/h2-9,11,13,24H,10,12,14-16H2,1H3
InChIKeyRHTIKHXJRMVPAJ-UHFFFAOYSA-N
XLogP2.46
TPSA106.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 2917799
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
3-hydroxy-5-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 3502624
5-(3-butoxyphenyl)-3-hydroxy-1-(3-pyridinylmethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3545131
N-{4,5-dimethyl-3-[(4-methylpiperidin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamide
CID 3875781
4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3154071
5-(3-ethoxyphenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3154074
N-[4,5-dimethyl-3-[morpholin-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 3235695
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6249435

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone (CID 141273176) is 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone is CC(=O)C1OCCN(C(=O)Cc2ccco2)C1(C(=O)Cc1ccncc1)C(=O)Cc1cccs1.
What is the InChIKey of 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone?
The InChIKey is RHTIKHXJRMVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-17(28)24-25(22(30)16-20-5-3-13-34-20,21(29)14-18-6-8-26-9-7-18)27(10-12-33-24)23(31)15-19-4-2-11-32-19/h2-9,11,13,24H,10,12,14-16H2,1H3.
What are the key properties of 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone?
1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone has a molecular weight of 480.54 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 141273176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).