N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide

C15H12ClNO2S — CID 10542645

IUPACN-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide
SMILESO=C(NC1CCc2sc(Cl)cc2C1=O)c1ccccc1
InChIInChI=1S/C15H12ClNO2S/c16-13-8-10-12(20-13)7-6-11(14(10)18)17-15(19)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,17,19)
InChIKeyWAGBHUMTGVDBRJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.33
Rot. Bonds2

About N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide

N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide (PubChem CID 10542645) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide
PubChem CID10542645
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC NameN-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide
SMILESO=C(NC1CCc2sc(Cl)cc2C1=O)c1ccccc1
InChIInChI=1S/C15H12ClNO2S/c16-13-8-10-12(20-13)7-6-11(14(10)18)17-15(19)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,17,19)
InChIKeyWAGBHUMTGVDBRJ-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide?
The IUPAC name of N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide (CID 10542645) is N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide.
What is the SMILES notation for N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide?
The canonical SMILES for N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide is O=C(NC1CCc2sc(Cl)cc2C1=O)c1ccccc1.
What is the InChIKey of N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide?
The InChIKey is WAGBHUMTGVDBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-13-8-10-12(20-13)7-6-11(14(10)18)17-15(19)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2,(H,17,19).
What are the key properties of N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide?
N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide has a molecular weight of 305.79 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)benzamide is sourced from PubChem (CID 10542645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).