3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide

C14H15BrN2OS — CID 114908151

IUPAC3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1sc2cc(Br)ccc2c1N)C1CCC1
InChIInChI=1S/C14H15BrN2OS/c1-17(9-3-2-4-9)14(18)13-12(16)10-6-5-8(15)7-11(10)19-13/h5-7,9H,2-4,16H2,1H3
InChIKeySLFZQGSMZUEEDR-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.87
Rot. Bonds2

About 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide

3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 114908151) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID114908151
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1sc2cc(Br)ccc2c1N)C1CCC1
InChIInChI=1S/C14H15BrN2OS/c1-17(9-3-2-4-9)14(18)13-12(16)10-6-5-8(15)7-11(10)19-13/h5-7,9H,2-4,16H2,1H3
InChIKeySLFZQGSMZUEEDR-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114896397
3-amino-6-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 114907933
(3-amino-6-bromo-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 114907655
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
3-amino-6-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 114907665
3-amino-6-bromo-N-ethyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 114907804
(3-amino-6-bromo-1-benzothiophen-2-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114907930
3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907749
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3-amino-6-bromo-N-butyl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907690
(3-amino-6-bromo-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 114907675
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide (CID 114908151) is 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide is CN(C(=O)c1sc2cc(Br)ccc2c1N)C1CCC1.
What is the InChIKey of 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is SLFZQGSMZUEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(9-3-2-4-9)14(18)13-12(16)10-6-5-8(15)7-11(10)19-13/h5-7,9H,2-4,16H2,1H3.
What are the key properties of 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114908151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).