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

C14H17FN2O2S — CID 79385439

IUPAC3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1sc2ccc(F)cc2c1N
InChIInChI=1S/C14H17FN2O2S/c1-14(2,19)7-17(3)13(18)12-11(16)9-6-8(15)4-5-10(9)20-12/h4-6,19H,7,16H2,1-3H3
InChIKeyBFCMFTDSKBURRR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.47
Rot. Bonds3

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

3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 79385439) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID79385439
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1sc2ccc(F)cc2c1N
InChIInChI=1S/C14H17FN2O2S/c1-14(2,19)7-17(3)13(18)12-11(16)9-6-8(15)4-5-10(9)20-12/h4-6,19H,7,16H2,1-3H3
InChIKeyBFCMFTDSKBURRR-UHFFFAOYSA-N
XLogP2.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 79386291
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932442
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 106280386
3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 114944563
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 104830430
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
3-amino-N,5-dimethyl-N-(2-methylprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932556
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 107932169
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide
CID 107932282
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 79380356

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide (CID 79385439) is 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide is CN(CC(C)(C)O)C(=O)c1sc2ccc(F)cc2c1N.
What is the InChIKey of 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is BFCMFTDSKBURRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-14(2,19)7-17(3)13(18)12-11(16)9-6-8(15)4-5-10(9)20-12/h4-6,19H,7,16H2,1-3H3.
What are the key properties of 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide?
3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79385439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).