3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

C15H13BrN2OS2 — CID 114888970

IUPAC3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1sc2cccc(Br)c2c1N)c1cccs1
InChIInChI=1S/C15H13BrN2OS2/c1-8(10-6-3-7-20-10)18-15(19)14-13(17)12-9(16)4-2-5-11(12)21-14/h2-8H,17H2,1H3,(H,18,19)
InChIKeySOJVFMJBZQKNOG-UHFFFAOYSA-N
MW381.32 g/mol
LogP4.80
Rot. Bonds3

About 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 114888970) has the molecular formula C15H13BrN2OS2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID114888970
Molecular FormulaC15H13BrN2OS2
Molecular Weight381.32 g/mol
Exact Mass379.97
IUPAC Name3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1sc2cccc(Br)c2c1N)c1cccs1
InChIInChI=1S/C15H13BrN2OS2/c1-8(10-6-3-7-20-10)18-15(19)14-13(17)12-9(16)4-2-5-11(12)21-14/h2-8H,17H2,1H3,(H,18,19)
InChIKeySOJVFMJBZQKNOG-UHFFFAOYSA-N
XLogP4.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 114889047
3-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114889220
3-amino-4-bromo-N-(2-methylsulfinylpropyl)-1-benzothiophene-2-carboxamide
CID 114889320
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
3-amino-4-bromo-N-hexyl-1-benzothiophene-2-carboxamide
CID 114889180
3-amino-4-bromo-N-pyrimidin-5-yl-1-benzothiophene-2-carboxamide
CID 107590357
3-amino-4-bromo-N-[(E)-pent-3-enyl]-1-benzothiophene-2-carboxamide
CID 114889298
3-amino-4-bromo-N-[(5-bromothiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114889183
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
3-amino-4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106174276
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide (CID 114888970) is 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide is CC(NC(=O)c1sc2cccc(Br)c2c1N)c1cccs1.
What is the InChIKey of 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SOJVFMJBZQKNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS2/c1-8(10-6-3-7-20-10)18-15(19)14-13(17)12-9(16)4-2-5-11(12)21-14/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide?
3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(1-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114888970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).