(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide

C16H15IN2O4 — CID 60576631

IUPAC(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(I)o2)c1
InChIInChI=1S/C16H15IN2O4/c1-10(20)18-13-6-3-12(22-2)9-14(13)19-16(21)8-5-11-4-7-15(17)23-11/h3-9H,1-2H3,(H,18,20)(H,19,21)/b8-5+
InChIKeyZWSYEQOVCWJLQP-VMPITWQZSA-N
MW426.21 g/mol
LogP3.50
Rot. Bonds5

About (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide

(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide (PubChem CID 60576631) has the molecular formula C16H15IN2O4 and a molecular weight of 426.21 g/mol. Its IUPAC name is (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide
PubChem CID60576631
Molecular FormulaC16H15IN2O4
Molecular Weight426.21 g/mol
Exact Mass426.01
IUPAC Name(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(I)o2)c1
InChIInChI=1S/C16H15IN2O4/c1-10(20)18-13-6-3-12(22-2)9-14(13)19-16(21)8-5-11-4-7-15(17)23-11/h3-9H,1-2H3,(H,18,20)(H,19,21)/b8-5+
InChIKeyZWSYEQOVCWJLQP-VMPITWQZSA-N
XLogP3.50
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
3-[3-(5-iodofuran-2-yl)prop-2-enoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 76866550
(4-acetamidophenyl) 3-(5-iodofuran-2-yl)prop-2-enoate
CID 78779191
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 6247958
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 5014101
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 19630742

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide (CID 60576631) is (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide is COc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(I)o2)c1.
What is the InChIKey of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide?
The InChIKey is ZWSYEQOVCWJLQP-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15IN2O4/c1-10(20)18-13-6-3-12(22-2)9-14(13)19-16(21)8-5-11-4-7-15(17)23-11/h3-9H,1-2H3,(H,18,20)(H,19,21)/b8-5+.
What are the key properties of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide?
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide has a molecular weight of 426.21 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 60576631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).