3-(1-benzothiophen-2-yl)prop-2-enamide

C11H9NOS — CID 169481889

IUPAC3-(1-benzothiophen-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cc2ccccc2s1
InChIInChI=1S/C11H9NOS/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-7H,(H2,12,13)
InChIKeyJRYNMCAPXHPWDI-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.40
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)prop-2-enamide

3-(1-benzothiophen-2-yl)prop-2-enamide (PubChem CID 169481889) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)prop-2-enamide
PubChem CID169481889
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name3-(1-benzothiophen-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cc2ccccc2s1
InChIInChI=1S/C11H9NOS/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-7H,(H2,12,13)
InChIKeyJRYNMCAPXHPWDI-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.40
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

ethyl (2E,4E)-5-(1-benzothiophen-2-yl)penta-2,4-dienoate
CID 23650873
1-[4-(1-benzothiophen-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 23798209
methyl 4-(1-benzothiophen-2-yl)but-3-enoate
CID 170501008
2-buta-1,3-dienyl-1-benzothiophene
CID 150239976
2-(2-nitroethenyl)-1-benzothiophene
CID 66801639
ethyl 5-[(E)-2-(1-benzothiophen-2-yl)ethenyl]thiophene-2-carboxylate
CID 14696267
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]benzaldehyde
CID 122476548
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
CID 5160129
3-anthracen-1-ylprop-2-enamide
CID 118453469

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)prop-2-enamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)prop-2-enamide (CID 169481889) is 3-(1-benzothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)prop-2-enamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)prop-2-enamide is NC(=O)C=Cc1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)prop-2-enamide?
The InChIKey is JRYNMCAPXHPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-7H,(H2,12,13).
What are the key properties of 3-(1-benzothiophen-2-yl)prop-2-enamide?
3-(1-benzothiophen-2-yl)prop-2-enamide has a molecular weight of 203.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 169481889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).