3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide

C15H15NO2S — CID 74626738

IUPAC3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide
SMILESCc1ccc(C=CC(=O)NOCc2ccccc2)s1
InChIInChI=1S/C15H15NO2S/c1-12-7-8-14(19-12)9-10-15(17)16-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyRJWGOPANUYDGRE-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.32
Rot. Bonds5

About 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide

3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide (PubChem CID 74626738) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide
PubChem CID74626738
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide
SMILESCc1ccc(C=CC(=O)NOCc2ccccc2)s1
InChIInChI=1S/C15H15NO2S/c1-12-7-8-14(19-12)9-10-15(17)16-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyRJWGOPANUYDGRE-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide?
The IUPAC name of 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide (CID 74626738) is 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide is Cc1ccc(C=CC(=O)NOCc2ccccc2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide?
The InChIKey is RJWGOPANUYDGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-7-8-14(19-12)9-10-15(17)16-18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide?
3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 74626738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).