N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine

C15H13NO3S — CID 134140090

IUPACN-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCOc1ccccc1Nc1cccc2c1S(=O)(=O)C=C2
InChIInChI=1S/C15H13NO3S/c1-19-14-8-3-2-6-12(14)16-13-7-4-5-11-9-10-20(17,18)15(11)13/h2-10,16H,1H3
InChIKeyMQIFUESQBLYLOR-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.20
Rot. Bonds3

About N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine

N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134140090) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134140090
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCOc1ccccc1Nc1cccc2c1S(=O)(=O)C=C2
InChIInChI=1S/C15H13NO3S/c1-19-14-8-3-2-6-12(14)16-13-7-4-5-11-9-10-20(17,18)15(11)13/h2-10,16H,1H3
InChIKeyMQIFUESQBLYLOR-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134140090) is N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine is COc1ccccc1Nc1cccc2c1S(=O)(=O)C=C2.
What is the InChIKey of N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is MQIFUESQBLYLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-14-8-3-2-6-12(14)16-13-7-4-5-11-9-10-20(17,18)15(11)13/h2-10,16H,1H3.
What are the key properties of N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine has a molecular weight of 287.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134140090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).