3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide

C15H19FN2O2S — CID 114944563

IUPAC3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1sc2ccc(F)cc2c1N
InChIInChI=1S/C15H19FN2O2S/c1-4-20-15(2,3)8-18-14(19)13-12(17)10-7-9(16)5-6-11(10)21-13/h5-7H,4,8,17H2,1-3H3,(H,18,19)
InChIKeyFTWOPENDFXSORP-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.17
Rot. Bonds5

About 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide

3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 114944563) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID114944563
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1sc2ccc(F)cc2c1N
InChIInChI=1S/C15H19FN2O2S/c1-4-20-15(2,3)8-18-14(19)13-12(17)10-7-9(16)5-6-11(10)21-13/h5-7H,4,8,17H2,1-3H3,(H,18,19)
InChIKeyFTWOPENDFXSORP-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 106280386
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 104830430
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 79385439
3-amino-5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115366289
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-5-fluoro-N-[(2-methylthiolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 80742683
3-amino-5-fluoro-N-hex-1-yn-3-yl-1-benzothiophene-2-carboxamide
CID 106233062
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106410215
5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
CID 114940280
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114943850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide (CID 114944563) is 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide is CCOC(C)(C)CNC(=O)c1sc2ccc(F)cc2c1N.
What is the InChIKey of 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is FTWOPENDFXSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-4-20-15(2,3)8-18-14(19)13-12(17)10-7-9(16)5-6-11(10)21-13/h5-7H,4,8,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114944563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).