(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

C35H28N2O4 — CID 11376139

IUPAC(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C35H28N2O4/c1-24-12-14-25(15-13-24)22-34(39)37-31-19-16-28(23-30(31)35(40)27-10-6-3-7-11-27)36-33(38)21-18-29-17-20-32(41-29)26-8-4-2-5-9-26/h2-21,23H,22H2,1H3,(H,36,38)(H,37,39)/b21-18+
InChIKeyFZRANOUGFQZXRH-DYTRJAOYSA-N
MW540.62 g/mol
LogP7.32
Rot. Bonds9

About (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide (PubChem CID 11376139) has the molecular formula C35H28N2O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
PubChem CID11376139
Molecular FormulaC35H28N2O4
Molecular Weight540.62 g/mol
Exact Mass540.20
IUPAC Name(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C35H28N2O4/c1-24-12-14-25(15-13-24)22-34(39)37-31-19-16-28(23-30(31)35(40)27-10-6-3-7-11-27)36-33(38)21-18-29-17-20-32(41-29)26-8-4-2-5-9-26/h2-21,23H,22H2,1H3,(H,36,38)(H,37,39)/b21-18+
InChIKeyFZRANOUGFQZXRH-DYTRJAOYSA-N
XLogP7.32
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide (CID 11376139) is (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide is Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The InChIKey is FZRANOUGFQZXRH-DYTRJAOYSA-N. The full InChI is InChI=1S/C35H28N2O4/c1-24-12-14-25(15-13-24)22-34(39)37-31-19-16-28(23-30(31)35(40)27-10-6-3-7-11-27)36-33(38)21-18-29-17-20-32(41-29)26-8-4-2-5-9-26/h2-21,23H,22H2,1H3,(H,36,38)(H,37,39)/b21-18+.
What are the key properties of (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide has a molecular weight of 540.62 g/mol, XLogP of 7.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 11376139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).