3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide

C14H15FN2OS — CID 79511065

IUPAC3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCCN(C(=O)c1sc2cccc(F)c2c1N)C1CC1
InChIInChI=1S/C14H15FN2OS/c1-2-17(8-6-7-8)14(18)13-12(16)11-9(15)4-3-5-10(11)19-13/h3-5,8H,2,6-7,16H2,1H3
InChIKeyJUCURYPUJMPXGI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.25
Rot. Bonds3

About 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide

3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 79511065) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID79511065
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCCN(C(=O)c1sc2cccc(F)c2c1N)C1CC1
InChIInChI=1S/C14H15FN2OS/c1-2-17(8-6-7-8)14(18)13-12(16)11-9(15)4-3-5-10(11)19-13/h3-5,8H,2,6-7,16H2,1H3
InChIKeyJUCURYPUJMPXGI-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide (CID 79511065) is 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide is CCN(C(=O)c1sc2cccc(F)c2c1N)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is JUCURYPUJMPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-2-17(8-6-7-8)14(18)13-12(16)11-9(15)4-3-5-10(11)19-13/h3-5,8H,2,6-7,16H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide?
3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79511065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).