3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide

C15H17BrN2O2S — CID 114908031

IUPAC3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCC1(CNC(=O)c2sc3cc(Br)ccc3c2N)CCCO1
InChIInChI=1S/C15H17BrN2O2S/c1-15(5-2-6-20-15)8-18-14(19)13-12(17)10-4-3-9(16)7-11(10)21-13/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyIAJYGMDSQYOKHN-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.54
Rot. Bonds3

About 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide

3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 114908031) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID114908031
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCC1(CNC(=O)c2sc3cc(Br)ccc3c2N)CCCO1
InChIInChI=1S/C15H17BrN2O2S/c1-15(5-2-6-20-15)8-18-14(19)13-12(17)10-4-3-9(16)7-11(10)21-13/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyIAJYGMDSQYOKHN-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-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-6-bromo-N-[(2-methylthiolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114908042
3-amino-4-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114889230
3-amino-6-bromo-N-(oxan-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907958
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674
3-amino-6-bromo-N-(3-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 114907968
3-amino-6-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 114908150
3-amino-6-bromo-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 114907967
3-amino-6-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908127
3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 114908087
3-amino-6-bromo-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342970
3-amino-6-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 114907933

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide (CID 114908031) is 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide is CC1(CNC(=O)c2sc3cc(Br)ccc3c2N)CCCO1.
What is the InChIKey of 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IAJYGMDSQYOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-15(5-2-6-20-15)8-18-14(19)13-12(17)10-4-3-9(16)7-11(10)21-13/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 369.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114908031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).