N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide

C17H15NO3S — CID 16848754

IUPACN-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C17H15NO3S/c1-20-13-4-5-15(21-2)14(10-13)17(19)18-12-3-6-16-11(9-12)7-8-22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyYFJAMRCAGMJGGT-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.17
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide

N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide (PubChem CID 16848754) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide
PubChem CID16848754
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C17H15NO3S/c1-20-13-4-5-15(21-2)14(10-13)17(19)18-12-3-6-16-11(9-12)7-8-22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyYFJAMRCAGMJGGT-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide (CID 16848754) is N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ccc3sccc3c2)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide?
The InChIKey is YFJAMRCAGMJGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-13-4-5-15(21-2)14(10-13)17(19)18-12-3-6-16-11(9-12)7-8-22-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide?
N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide has a molecular weight of 313.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 16848754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).