(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide

C20H13NO3S — CID 139380860

IUPAC(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13NO3S/c22-17(11-10-13-6-2-1-3-7-13)21-19-18-15(12-25-19)14-8-4-5-9-16(14)24-20(18)23/h1-12H,(H,21,22)/b11-10+
InChIKeyHYAOPNJDDYMAIE-ZHACJKMWSA-N
MW347.40 g/mol
LogP4.66
Rot. Bonds3

About (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide

(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide (PubChem CID 139380860) has the molecular formula C20H13NO3S and a molecular weight of 347.40 g/mol. Its IUPAC name is (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide
PubChem CID139380860
Molecular FormulaC20H13NO3S
Molecular Weight347.40 g/mol
Exact Mass347.06
IUPAC Name(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1scc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13NO3S/c22-17(11-10-13-6-2-1-3-7-13)21-19-18-15(12-25-19)14-8-4-5-9-16(14)24-20(18)23/h1-12H,(H,21,22)/b11-10+
InChIKeyHYAOPNJDDYMAIE-ZHACJKMWSA-N
XLogP4.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide (CID 139380860) is (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1scc2c1c(=O)oc1ccccc12.
What is the InChIKey of (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide?
The InChIKey is HYAOPNJDDYMAIE-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H13NO3S/c22-17(11-10-13-6-2-1-3-7-13)21-19-18-15(12-25-19)14-8-4-5-9-16(14)24-20(18)23/h1-12H,(H,21,22)/b11-10+.
What are the key properties of (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide?
(E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide has a molecular weight of 347.40 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-oxothieno[3,4-c]chromen-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 139380860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).