[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone

C36H25N3O9S2 — CID 141045915

IUPAC[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1C=COC1(C(=O)c1cccs1)C(=O)C1(C(=O)c2ccncc2)C(C(=O)c2cccnc2)OCCN1C(=O)c1ccoc1
InChIInChI=1S/C36H25N3O9S2/c40-28(23-4-1-11-38-20-23)32-35(30(42)22-7-12-37-13-8-22,39(14-17-47-32)33(44)24-9-15-46-21-24)34(45)36(31(43)27-6-3-19-50-27)25(10-16-48-36)29(41)26-5-2-18-49-26/h1-13,15-16,18-21,25,32H,14,17H2
InChIKeyHMOKSWFZSSHUIW-UHFFFAOYSA-N
MW707.74 g/mol
LogP4.77
Rot. Bonds11

About [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone

[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone (PubChem CID 141045915) has the molecular formula C36H25N3O9S2 and a molecular weight of 707.74 g/mol. Its IUPAC name is [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone
PubChem CID141045915
Molecular FormulaC36H25N3O9S2
Molecular Weight707.74 g/mol
Exact Mass707.10
IUPAC Name[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1C=COC1(C(=O)c1cccs1)C(=O)C1(C(=O)c2ccncc2)C(C(=O)c2cccnc2)OCCN1C(=O)c1ccoc1
InChIInChI=1S/C36H25N3O9S2/c40-28(23-4-1-11-38-20-23)32-35(30(42)22-7-12-37-13-8-22,39(14-17-47-32)33(44)24-9-15-46-21-24)34(45)36(31(43)27-6-3-19-50-27)25(10-16-48-36)29(41)26-5-2-18-49-26/h1-13,15-16,18-21,25,32H,14,17H2
InChIKeyHMOKSWFZSSHUIW-UHFFFAOYSA-N
XLogP4.77
TPSA163.04 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.74
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-5-pyridin-3-ylfuran-2-carboxamide;N-(2,2-difluoropropyl)-5-pyridin-3-ylfuran-3-carboxamide;N-ethyl-N-methyl-5-pyridin-3-ylfuran-2-carboxamide;N-methyl-N-prop-2-ynyl-5-pyridin-3-ylfuran-2-carboxamide;3-[5-(4-thiophen-2-ylbut-1-en-2-yl)furan-2-yl]pyridine
CID 159843591
[4-(Furan-2-carbonyl)-3-(pyridine-4-carbonyl)-3-(thiophene-2-carbonyl)morpholin-2-yl]-pyridin-3-ylmethanone
CID 141245692
1-[2-Acetyl-4-[2-(furan-2-yl)acetyl]-3-(2-thiophen-2-ylacetyl)morpholin-3-yl]-2-pyridin-4-ylethanone
CID 141273176
[4-(Furan-2-carbonyl)-3-(thiophene-2-carbonyl)morpholin-3-yl]-pyridin-3-ylmethanone
CID 141273181
(4R,5R)-2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 124239465
(4S,5R)-2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 124239466
(4R,5S)-2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 124239467
(4S,5S)-2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 124239468
2-(Furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131672412

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone (CID 141045915) is [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)C1C=COC1(C(=O)c1cccs1)C(=O)C1(C(=O)c2ccncc2)C(C(=O)c2cccnc2)OCCN1C(=O)c1ccoc1.
What is the InChIKey of [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone?
The InChIKey is HMOKSWFZSSHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O9S2/c40-28(23-4-1-11-38-20-23)32-35(30(42)22-7-12-37-13-8-22,39(14-17-47-32)33(44)24-9-15-46-21-24)34(45)36(31(43)27-6-3-19-50-27)25(10-16-48-36)29(41)26-5-2-18-49-26/h1-13,15-16,18-21,25,32H,14,17H2.
What are the key properties of [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone?
[2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone has a molecular weight of 707.74 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-3-carbonyl)-2-(pyridine-3-carbonyl)-3-(pyridine-4-carbonyl)morpholine-3-carbonyl]-2-(thiophene-2-carbonyl)-3H-furan-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 141045915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).