(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C13H11NOS — CID 47116505

IUPAC(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C13H11NOS/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9H,(H2,14,15)/b9-7+
InChIKeyRXQCBVHDAMJUHN-VQHVLOKHSA-N
MW229.30 g/mol
LogP2.91
Rot. Bonds3

About (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 47116505) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID47116505
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C13H11NOS/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9H,(H2,14,15)/b9-7+
InChIKeyRXQCBVHDAMJUHN-VQHVLOKHSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 47116505) is (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide is NC(=O)/C=C/c1ccc(-c2ccccc2)s1.
What is the InChIKey of (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is RXQCBVHDAMJUHN-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H11NOS/c14-13(15)9-7-11-6-8-12(16-11)10-4-2-1-3-5-10/h1-9H,(H2,14,15)/b9-7+.
What are the key properties of (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 229.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 47116505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).