ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate

C26H24N2O5S — CID 19300657

IUPACethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate
SMILESCCOC(=O)/C=C/CSc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O5S/c1-2-32-24(29)14-8-16-34-22-13-6-11-20(17-22)27-26(31)23(18-21-12-7-15-33-21)28-25(30)19-9-4-3-5-10-19/h3-15,17-18H,2,16H2,1H3,(H,27,31)(H,28,30)/b14-8+,23-18+
InChIKeyHARWIXCCUYZENG-SIPFBABESA-N
MW476.55 g/mol
LogP4.90
Rot. Bonds10

About ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate

ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate (PubChem CID 19300657) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate
PubChem CID19300657
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Nameethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate
SMILESCCOC(=O)/C=C/CSc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N2O5S/c1-2-32-24(29)14-8-16-34-22-13-6-11-20(17-22)27-26(31)23(18-21-12-7-15-33-21)28-25(30)19-9-4-3-5-10-19/h3-15,17-18H,2,16H2,1H3,(H,27,31)(H,28,30)/b14-8+,23-18+
InChIKeyHARWIXCCUYZENG-SIPFBABESA-N
XLogP4.90
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate 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

ethyl (E)-4-[3-[[(E)-2-benzamido-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate
CID 19300405
4-[[2-[3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 19310907
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19310881
N-[(Z)-1-(furan-2-yl)-3-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19310885
N-[(Z)-3-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylanilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 19310855
N-[(Z)-3-(4-ethoxy-3-methoxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942231
N-[(Z)-3-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylanilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 19310854
N-[(Z)-3-[3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylanilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 19310888
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19310913
ethyl 4-[(3S)-3-[3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 99129533
ethyl 2-[2-[3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 19052569
N-[(Z)-1-(furan-2-yl)-3-[4-[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22187899

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate?
The IUPAC name of ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate (CID 19300657) is ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate is CCOC(=O)/C=C/CSc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1.
What is the InChIKey of ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate?
The InChIKey is HARWIXCCUYZENG-SIPFBABESA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-2-32-24(29)14-8-16-34-22-13-6-11-20(17-22)27-26(31)23(18-21-12-7-15-33-21)28-25(30)19-9-4-3-5-10-19/h3-15,17-18H,2,16H2,1H3,(H,27,31)(H,28,30)/b14-8+,23-18+.
What are the key properties of ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate?
ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate has a molecular weight of 476.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate is sourced from PubChem (CID 19300657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).