3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 107932413

IUPAC3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCOCCC(C)NC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C15H20N2O2S/c1-9-4-5-12-11(8-9)13(16)14(20-12)15(18)17-10(2)6-7-19-3/h4-5,8,10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyWVSWIOZPGVJSPI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds5

About 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932413) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932413
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCOCCC(C)NC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C15H20N2O2S/c1-9-4-5-12-11(8-9)13(16)14(20-12)15(18)17-10(2)6-7-19-3/h4-5,8,10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyWVSWIOZPGVJSPI-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
CID 107932423
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(1-methoxy-2-methylpropan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932523
3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932269
3-amino-5-chloro-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 83178744
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932567
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932413) is 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide is COCCC(C)NC(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is WVSWIOZPGVJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-4-5-12-11(8-9)13(16)14(20-12)15(18)17-10(2)6-7-19-3/h4-5,8,10H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).