3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide

C14H17BrN2OS — CID 114896388

IUPAC3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C14H17BrN2OS/c1-7(2)8(3)17-14(18)13-12(16)10-6-9(15)4-5-11(10)19-13/h4-8H,16H2,1-3H3,(H,17,18)
InChIKeyOGOOCESDASLCRF-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.02
Rot. Bonds3

About 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 114896388) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID114896388
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C14H17BrN2OS/c1-7(2)8(3)17-14(18)13-12(16)10-6-9(15)4-5-11(10)19-13/h4-8H,16H2,1-3H3,(H,17,18)
InChIKeyOGOOCESDASLCRF-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114907732
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106357993
3-amino-5-bromo-N-[2-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 114896555
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114896551
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 104830430
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956
3-amino-5-bromo-N-(4-methylsulfanylbutyl)-1-benzothiophene-2-carboxamide
CID 114896782
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide (CID 114896388) is 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide is CC(C)C(C)NC(=O)c1sc2ccc(Br)cc2c1N.
What is the InChIKey of 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is OGOOCESDASLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-7(2)8(3)17-14(18)13-12(16)10-6-9(15)4-5-11(10)19-13/h4-8H,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 341.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).