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

C14H18N2O3S — CID 106162895

IUPAC3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C14H18N2O3S/c1-19-8-9(6-7-17)16-14(18)13-12(15)10-4-2-3-5-11(10)20-13/h2-5,9,17H,6-8,15H2,1H3,(H,16,18)
InChIKeyLUUQOGDCJRKQIB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.61
Rot. Bonds6

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

3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 106162895) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID106162895
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C14H18N2O3S/c1-19-8-9(6-7-17)16-14(18)13-12(15)10-4-2-3-5-11(10)20-13/h2-5,9,17H,6-8,15H2,1H3,(H,16,18)
InChIKeyLUUQOGDCJRKQIB-UHFFFAOYSA-N
XLogP1.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106358008
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 103850889
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267136
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
CID 106161073
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 103799438
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151929
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide (CID 106162895) is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide is COCC(CCO)NC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is LUUQOGDCJRKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-8-9(6-7-17)16-14(18)13-12(15)10-4-2-3-5-11(10)20-13/h2-5,9,17H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide?
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106162895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).