N-(1-benzothiophen-5-yl)-2-phenoxybenzamide

C21H15NO2S — CID 3632848

IUPACN-(1-benzothiophen-5-yl)-2-phenoxybenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H15NO2S/c23-21(22-16-10-11-20-15(14-16)12-13-25-20)18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-14H,(H,22,23)
InChIKeyIDDCUABZDCOWIV-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.95
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-phenoxybenzamide

N-(1-benzothiophen-5-yl)-2-phenoxybenzamide (PubChem CID 3632848) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-phenoxybenzamide
PubChem CID3632848
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC NameN-(1-benzothiophen-5-yl)-2-phenoxybenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H15NO2S/c23-21(22-16-10-11-20-15(14-16)12-13-25-20)18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-14H,(H,22,23)
InChIKeyIDDCUABZDCOWIV-UHFFFAOYSA-N
XLogP5.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-phenoxybenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-phenoxybenzamide (CID 3632848) is N-(1-benzothiophen-5-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-phenoxybenzamide is O=C(Nc1ccc2sccc2c1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-phenoxybenzamide?
The InChIKey is IDDCUABZDCOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-21(22-16-10-11-20-15(14-16)12-13-25-20)18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-14H,(H,22,23).
What are the key properties of N-(1-benzothiophen-5-yl)-2-phenoxybenzamide?
N-(1-benzothiophen-5-yl)-2-phenoxybenzamide has a molecular weight of 345.42 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-phenoxybenzamide is sourced from PubChem (CID 3632848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).