3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide

C15H17ClN2O2S — CID 106410285

IUPAC3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide
SMILESC=CCCOCCNC(=O)c1sc2ccc(Cl)cc2c1N
InChIInChI=1S/C15H17ClN2O2S/c1-2-3-7-20-8-6-18-15(19)14-13(17)11-9-10(16)4-5-12(11)21-14/h2,4-5,9H,1,3,6-8,17H2,(H,18,19)
InChIKeyUDBGVBVHYZQCTM-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.46
Rot. Bonds7

About 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide

3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide (PubChem CID 106410285) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide
PubChem CID106410285
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide
SMILESC=CCCOCCNC(=O)c1sc2ccc(Cl)cc2c1N
InChIInChI=1S/C15H17ClN2O2S/c1-2-3-7-20-8-6-18-15(19)14-13(17)11-9-10(16)4-5-12(11)21-14/h2,4-5,9H,1,3,6-8,17H2,(H,18,19)
InChIKeyUDBGVBVHYZQCTM-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.46
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-5-chloro-N-(2-prop-2-enylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 106433573
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-5-chloro-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 116645668
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
3-amino-5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115366289
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 114469852
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
3-amino-5-chloro-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 83178744
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
3-amino-5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267384

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide (CID 106410285) is 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide is C=CCCOCCNC(=O)c1sc2ccc(Cl)cc2c1N.
What is the InChIKey of 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is UDBGVBVHYZQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-3-7-20-8-6-18-15(19)14-13(17)11-9-10(16)4-5-12(11)21-14/h2,4-5,9H,1,3,6-8,17H2,(H,18,19).
What are the key properties of 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide?
3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106410285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).