3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide

C19H16N2O3S — CID 72688726

IUPAC3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C19H16N2O3S/c22-18(10-9-14-5-3-11-24-14)20-16-7-1-2-8-17(16)21-19(23)13-15-6-4-12-25-15/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyKAKMMEQAIHVGAR-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.17
Rot. Bonds6

About 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide (PubChem CID 72688726) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
PubChem CID72688726
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C19H16N2O3S/c22-18(10-9-14-5-3-11-24-14)20-16-7-1-2-8-17(16)21-19(23)13-15-6-4-12-25-15/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyKAKMMEQAIHVGAR-UHFFFAOYSA-N
XLogP4.17
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.17
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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Related Compounds

(E)-3-(4-methylsulfanylphenyl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
CID 86897702
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(2-oxo-2-thiophen-2-ylethyl) 2-[3-(furan-2-yl)prop-2-enoylamino]benzoate
CID 3583849
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[2-[3-(furan-2-yl)prop-2-enoylamino]phenoxy]acetic acid
CID 77004994
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide (CID 72688726) is 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccccc1NC(=O)Cc1cccs1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide?
The InChIKey is KAKMMEQAIHVGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(10-9-14-5-3-11-24-14)20-16-7-1-2-8-17(16)21-19(23)13-15-6-4-12-25-15/h1-12H,13H2,(H,20,22)(H,21,23).
What are the key properties of 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide has a molecular weight of 352.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 72688726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).