3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide

C11H12N2OS — CID 107112750

IUPAC3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C11H12N2OS/c1-6-4-3-5-7-8(12)10(11(14)13-2)15-9(6)7/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyJYNDVSDVNJGXPC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.15
Rot. Bonds1

About 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide

3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 107112750) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID107112750
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C11H12N2OS/c1-6-4-3-5-7-8(12)10(11(14)13-2)15-9(6)7/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyJYNDVSDVNJGXPC-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-amino-1-oxopropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112859
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964
3-amino-N-(4-chlorophenyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112776
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 107113001
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570
3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474
3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 107112841
3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
CID 107112763
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
CID 107112801
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide (CID 107112750) is 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2c(C)cccc2c1N.
What is the InChIKey of 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is JYNDVSDVNJGXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-6-4-3-5-7-8(12)10(11(14)13-2)15-9(6)7/h3-5H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide?
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).