N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine

C15H13NO3S — CID 134140102

IUPACN-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCOc1ccc(Nc2cccc3c2S(=O)(=O)C=C3)cc1
InChIInChI=1S/C15H13NO3S/c1-19-13-7-5-12(6-8-13)16-14-4-2-3-11-9-10-20(17,18)15(11)14/h2-10,16H,1H3
InChIKeyLVPZMMUILAVMBC-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.20
Rot. Bonds3

About N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine

N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine (PubChem CID 134140102) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine
PubChem CID134140102
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine
SMILESCOc1ccc(Nc2cccc3c2S(=O)(=O)C=C3)cc1
InChIInChI=1S/C15H13NO3S/c1-19-13-7-5-12(6-8-13)16-14-4-2-3-11-9-10-20(17,18)15(11)14/h2-10,16H,1H3
InChIKeyLVPZMMUILAVMBC-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-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The IUPAC name of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine (CID 134140102) is N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine is COc1ccc(Nc2cccc3c2S(=O)(=O)C=C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
The InChIKey is LVPZMMUILAVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-13-7-5-12(6-8-13)16-14-4-2-3-11-9-10-20(17,18)15(11)14/h2-10,16H,1H3.
What are the key properties of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine?
N-(4-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-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophen-7-amine is sourced from PubChem (CID 134140102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).