N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide

C12H15NO2S — CID 170488258

IUPACN-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1csc(C(C)=O)c1
InChIInChI=1S/C12H15NO2S/c1-9(14)12-7-11(8-16-12)5-3-4-6-13-10(2)15/h3,5,7-8H,4,6H2,1-2H3,(H,13,15)
InChIKeyIZTVMUPAGPUSJN-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.49
Rot. Bonds5

About N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide

N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide (PubChem CID 170488258) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide
PubChem CID170488258
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1csc(C(C)=O)c1
InChIInChI=1S/C12H15NO2S/c1-9(14)12-7-11(8-16-12)5-3-4-6-13-10(2)15/h3,5,7-8H,4,6H2,1-2H3,(H,13,15)
InChIKeyIZTVMUPAGPUSJN-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-acetamidobut-1-enyl)thiophene-2-carboxylate
CID 170488502
1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone
CID 170486563
4-[4-(methylamino)but-1-enyl]thiophene-2-carboxylic acid
CID 170495337
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
CID 155466575
N-[4-(4-amino-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170488732
N-[4-(4-bromo-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170489764
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide (CID 170488258) is N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1csc(C(C)=O)c1.
What is the InChIKey of N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide?
The InChIKey is IZTVMUPAGPUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-9(14)12-7-11(8-16-12)5-3-4-6-13-10(2)15/h3,5,7-8H,4,6H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide?
N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide has a molecular weight of 237.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).