N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C28H25FN4O3 — CID 17038956

IUPACN-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
InChIInChI=1S/C28H25FN4O3/c1-2-33-17-19(21-6-3-4-7-25(21)33)14-24(32-28(35)26-8-5-13-36-26)27(34)30-12-11-18-16-31-23-10-9-20(29)15-22(18)23/h3-10,13-17,31H,2,11-12H2,1H3,(H,30,34)(H,32,35)/b24-14-
InChIKeyDWUSRJBIKFTNPJ-OYKKKHCWSA-N
MW484.53 g/mol
LogP5.00
Rot. Bonds8

About N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 17038956) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID17038956
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC NameN-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21
InChIInChI=1S/C28H25FN4O3/c1-2-33-17-19(21-6-3-4-7-25(21)33)14-24(32-28(35)26-8-5-13-36-26)27(34)30-12-11-18-16-31-23-10-9-20(29)15-22(18)23/h3-10,13-17,31H,2,11-12H2,1H3,(H,30,34)(H,32,35)/b24-14-
InChIKeyDWUSRJBIKFTNPJ-OYKKKHCWSA-N
XLogP5.00
TPSA92.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 17038047
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2029098
N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2029097
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262183
N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262201
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3844321
N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 46262191
N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111972111
N-[1-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 3760760
3,4-dimethoxy-N-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4873734
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 4873728

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 17038956) is N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCc2c[nH]c3ccc(F)cc23)c2ccccc21.
What is the InChIKey of N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is DWUSRJBIKFTNPJ-OYKKKHCWSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-2-33-17-19(21-6-3-4-7-25(21)33)14-24(32-28(35)26-8-5-13-36-26)27(34)30-12-11-18-16-31-23-10-9-20(29)15-22(18)23/h3-10,13-17,31H,2,11-12H2,1H3,(H,30,34)(H,32,35)/b24-14-.
What are the key properties of N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17038956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).