3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide

C15H18N2O2S — CID 114469852

IUPAC3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-19-8-7-17-15(18)14-13(16)11-5-3-4-6-12(11)20-14/h3-6H,1,7-9,16H2,2H3,(H,17,18)
InChIKeyUPPZYSYPMLQVGO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.81
Rot. Bonds6

About 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 114469852) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID114469852
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C15H18N2O2S/c1-10(2)9-19-8-7-17-15(18)14-13(16)11-5-3-4-6-12(11)20-14/h3-6H,1,7-9,16H2,2H3,(H,17,18)
InChIKeyUPPZYSYPMLQVGO-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848
3-amino-7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 107113709
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 115357356
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106106547
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 115700346
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide
CID 106410285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide (CID 114469852) is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide is C=C(C)COCCNC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is UPPZYSYPMLQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)9-19-8-7-17-15(18)14-13(16)11-5-3-4-6-12(11)20-14/h3-6H,1,7-9,16H2,2H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide?
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114469852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).