3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide

C15H19FN2O2S — CID 106174293

IUPAC3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C15H19FN2O2S/c1-3-15(2,7-8-19)18-14(20)13-12(17)11-9(16)5-4-6-10(11)21-13/h4-6,19H,3,7-8,17H2,1-2H3,(H,18,20)
InChIKeyRCLGELKXNUEEQT-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide

3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 106174293) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID106174293
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C15H19FN2O2S/c1-3-15(2,7-8-19)18-14(20)13-12(17)11-9(16)5-4-6-10(11)21-13/h4-6,19H,3,7-8,17H2,1-2H3,(H,18,20)
InChIKeyRCLGELKXNUEEQT-UHFFFAOYSA-N
XLogP2.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106174276
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
3-amino-4-fluoro-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 79510954
3-amino-4-fluoro-N-pentan-3-yl-1-benzothiophene-2-carboxamide
CID 79512257
3-amino-4-fluoro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 79512371
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511999
3-amino-4-fluoro-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 79511989
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 79515302
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide (CID 106174293) is 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide is CCC(C)(CCO)NC(=O)c1sc2cccc(F)c2c1N.
What is the InChIKey of 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is RCLGELKXNUEEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-3-15(2,7-8-19)18-14(20)13-12(17)11-9(16)5-4-6-10(11)21-13/h4-6,19H,3,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide?
3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106174293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).