(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide

C13H11NOS — CID 170877143

IUPAC(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H11NOS/c14-13(15)7-6-12-8-11(9-16-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)/b7-6-
InChIKeyIYYKAGNQTWYJLW-SREVYHEPSA-N
MW229.30 g/mol
LogP2.91
Rot. Bonds3

About (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide

(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 170877143) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
PubChem CID170877143
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H11NOS/c14-13(15)7-6-12-8-11(9-16-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)/b7-6-
InChIKeyIYYKAGNQTWYJLW-SREVYHEPSA-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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Related Compounds

(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
(E)-3-(4-phenylthiophen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 166186509
3-(4-phenylthiophen-2-yl)prop-2-en-1-amine
CID 169464732
ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene
CID 143380130
(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 45051002
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
methyl (E)-3-(4-pyridin-4-ylthiophen-2-yl)prop-2-enoate
CID 23390270
(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride
CID 11161769
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
4-(4-thiophen-2-ylthiophen-2-yl)but-3-en-2-one
CID 77024205
4-(4-phenylthiophen-2-yl)butanoic acid
CID 165409992
4-phenylthiophen-2-amine;hydrochloride
CID 90309032

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide (CID 170877143) is (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide is NC(=O)/C=C\c1cc(-c2ccccc2)cs1.
What is the InChIKey of (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is IYYKAGNQTWYJLW-SREVYHEPSA-N. The full InChI is InChI=1S/C13H11NOS/c14-13(15)7-6-12-8-11(9-16-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)/b7-6-.
What are the key properties of (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide?
(Z)-3-(4-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 (Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 170877143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).