4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

C15H14BrNOS — CID 62844058

IUPAC4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESO=C(NC1CCCc2sccc21)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNOS/c16-11-6-4-10(5-7-11)15(18)17-13-2-1-3-14-12(13)8-9-19-14/h4-9,13H,1-3H2,(H,17,18)
InChIKeyRTDBCZIIBZSZGI-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.32
Rot. Bonds2

About 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (PubChem CID 62844058) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
PubChem CID62844058
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESO=C(NC1CCCc2sccc21)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNOS/c16-11-6-4-10(5-7-11)15(18)17-13-2-1-3-14-12(13)8-9-19-14/h4-9,13H,1-3H2,(H,17,18)
InChIKeyRTDBCZIIBZSZGI-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The IUPAC name of 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (CID 62844058) is 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is O=C(NC1CCCc2sccc21)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The InChIKey is RTDBCZIIBZSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-11-6-4-10(5-7-11)15(18)17-13-2-1-3-14-12(13)8-9-19-14/h4-9,13H,1-3H2,(H,17,18).
What are the key properties of 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide has a molecular weight of 336.25 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is sourced from PubChem (CID 62844058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).