3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide

C15H20N2O3S — CID 81301548

IUPAC3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCOCC(C)CNC(=O)c1sc2cc(OC)ccc2c1N
InChIInChI=1S/C15H20N2O3S/c1-9(8-19-2)7-17-15(18)14-13(16)11-5-4-10(20-3)6-12(11)21-14/h4-6,9H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyLAEZSFHGJQKGOQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.50
Rot. Bonds6

About 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide

3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 81301548) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID81301548
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCOCC(C)CNC(=O)c1sc2cc(OC)ccc2c1N
InChIInChI=1S/C15H20N2O3S/c1-9(8-19-2)7-17-15(18)14-13(16)11-5-4-10(20-3)6-12(11)21-14/h4-6,9H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyLAEZSFHGJQKGOQ-UHFFFAOYSA-N
XLogP2.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-but-3-yn-2-yl-6-methoxy-1-benzothiophene-2-carboxamide
CID 114420596
3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81309556
3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81302164
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 81301398
3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289374

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide (CID 81301548) is 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide is COCC(C)CNC(=O)c1sc2cc(OC)ccc2c1N.
What is the InChIKey of 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is LAEZSFHGJQKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9(8-19-2)7-17-15(18)14-13(16)11-5-4-10(20-3)6-12(11)21-14/h4-6,9H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81301548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).