3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide

C13H14BrN3O2S — CID 114889047

IUPAC3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1sc2cccc(Br)c2c1N
InChIInChI=1S/C13H14BrN3O2S/c1-6(12(18)16-2)17-13(19)11-10(15)9-7(14)4-3-5-8(9)20-11/h3-6H,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCKUCOAJLQPUUCF-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide

3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 114889047) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID114889047
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1sc2cccc(Br)c2c1N
InChIInChI=1S/C13H14BrN3O2S/c1-6(12(18)16-2)17-13(19)11-10(15)9-7(14)4-3-5-8(9)20-11/h3-6H,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCKUCOAJLQPUUCF-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114889220
3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 114888970
3-amino-4-bromo-N-(2-methylsulfinylpropyl)-1-benzothiophene-2-carboxamide
CID 114889320
3-amino-4-bromo-N-pyrimidin-5-yl-1-benzothiophene-2-carboxamide
CID 107590357
3-amino-4-bromo-N-hexyl-1-benzothiophene-2-carboxamide
CID 114889180
3-amino-4-bromo-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
CID 114888877
3-amino-4-bromo-N-[(E)-pent-3-enyl]-1-benzothiophene-2-carboxamide
CID 114889298
3-amino-4-bromo-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114888956
3-amino-4-bromo-N-[(5-bromothiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114889183
3-amino-4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106174276
3-amino-4-bromo-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide
CID 114888910
3-amino-4-fluoro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 79512371

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide (CID 114889047) is 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide is CNC(=O)C(C)NC(=O)c1sc2cccc(Br)c2c1N.
What is the InChIKey of 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is CKUCOAJLQPUUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-6(12(18)16-2)17-13(19)11-10(15)9-7(14)4-3-5-8(9)20-11/h3-6H,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide?
3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114889047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).