butyl 5-acetamidothiophene-2-carboxylate

C11H15NO3S — CID 112725025

IUPACbutyl 5-acetamidothiophene-2-carboxylate
SMILESCCCCOC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C11H15NO3S/c1-3-4-7-15-11(14)9-5-6-10(16-9)12-8(2)13/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyLXWCYWDIOBRESE-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.66
Rot. Bonds5

About butyl 5-acetamidothiophene-2-carboxylate

butyl 5-acetamidothiophene-2-carboxylate (PubChem CID 112725025) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is butyl 5-acetamidothiophene-2-carboxylate.

Molecular Properties

Compound Namebutyl 5-acetamidothiophene-2-carboxylate
PubChem CID112725025
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namebutyl 5-acetamidothiophene-2-carboxylate
SMILESCCCCOC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C11H15NO3S/c1-3-4-7-15-11(14)9-5-6-10(16-9)12-8(2)13/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyLXWCYWDIOBRESE-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 5-(bromomethyl)thiophene-2-carboxylate
CID 90291128
ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
CID 14219735
butyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18098380
butyl 5-(4-amino-3-methylbutyl)thiophene-2-carboxylate
CID 90013182
methyl 5-[(4-butylbenzoyl)amino]thiophene-2-carboxylate
CID 24509325
butyl 4-hydroxythiophene-2-carboxylate
CID 172999954
3-hydroxypropyl 5-propylthiophene-2-carboxylate
CID 139420847
heptyl thiophene-2-carboxylate
CID 574115
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 4-(2-methylprop-2-enoylamino)benzoate
CID 46708094
butyl 2-acetamido-5-methyl-1-benzothiophene-3-carboxylate
CID 130239272
dibutyl benzene-1,2-dicarboxylate
CID 69108201

Frequently Asked Questions

What is the IUPAC name of butyl 5-acetamidothiophene-2-carboxylate?
The IUPAC name of butyl 5-acetamidothiophene-2-carboxylate (CID 112725025) is butyl 5-acetamidothiophene-2-carboxylate.
What is the SMILES notation for butyl 5-acetamidothiophene-2-carboxylate?
The canonical SMILES for butyl 5-acetamidothiophene-2-carboxylate is CCCCOC(=O)c1ccc(NC(C)=O)s1.
What is the InChIKey of butyl 5-acetamidothiophene-2-carboxylate?
The InChIKey is LXWCYWDIOBRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-4-7-15-11(14)9-5-6-10(16-9)12-8(2)13/h5-6H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of butyl 5-acetamidothiophene-2-carboxylate?
butyl 5-acetamidothiophene-2-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-acetamidothiophene-2-carboxylate is sourced from PubChem (CID 112725025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).