[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate

C15H13NO3S — CID 174372345

IUPAC[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate
SMILESCC(=O)Nc1cccc(/C=C\c2ccsc2OC=O)c1
InChIInChI=1S/C15H13NO3S/c1-11(18)16-14-4-2-3-12(9-14)5-6-13-7-8-20-15(13)19-10-17/h2-10H,1H3,(H,16,18)/b6-5-
InChIKeyGLUBRHWTPWQKPW-WAYWQWQTSA-N
MW287.34 g/mol
LogP3.41
Rot. Bonds5

About [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate

[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate (PubChem CID 174372345) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate.

Molecular Properties

Compound Name[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate
PubChem CID174372345
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate
SMILESCC(=O)Nc1cccc(/C=C\c2ccsc2OC=O)c1
InChIInChI=1S/C15H13NO3S/c1-11(18)16-14-4-2-3-12(9-14)5-6-13-7-8-20-15(13)19-10-17/h2-10H,1H3,(H,16,18)/b6-5-
InChIKeyGLUBRHWTPWQKPW-WAYWQWQTSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-acetamidophenyl)prop-2-enamide
CID 169482180
methyl 3-[2-(3-aminophenyl)ethenyl]thiophene-2-carboxylate
CID 54321718
N-[3-(2-cyanoethenyl)phenyl]acetamide
CID 169483845
N-[3-[(hydroxyhydrazinylidene)methyl]phenyl]acetamide
CID 139271110
N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide
CID 15456471
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
3-[(Z)-2-[3-(2,2-dimethylpropanoylamino)phenyl]ethenyl]benzoic acid
CID 102374289
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
N-[3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]acetamide
CID 14763363
thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate
CID 69157838
N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide
CID 92526201
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate?
The IUPAC name of [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate (CID 174372345) is [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate.
What is the SMILES notation for [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate?
The canonical SMILES for [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate is CC(=O)Nc1cccc(/C=C\c2ccsc2OC=O)c1.
What is the InChIKey of [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate?
The InChIKey is GLUBRHWTPWQKPW-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-11(18)16-14-4-2-3-12(9-14)5-6-13-7-8-20-15(13)19-10-17/h2-10H,1H3,(H,16,18)/b6-5-.
What are the key properties of [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate?
[3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate has a molecular weight of 287.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-2-(3-acetamidophenyl)ethenyl]thiophen-2-yl] formate is sourced from PubChem (CID 174372345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).