N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C15H15NO3S — CID 43522877

IUPACN-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOc1cccc(NC2CS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H15NO3S/c1-19-12-6-4-5-11(9-12)16-14-10-20(17,18)15-8-3-2-7-13(14)15/h2-9,14,16H,10H2,1H3
InChIKeyGNKXVLPBXOIYPE-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.64
Rot. Bonds3

About N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522877) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522877
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOc1cccc(NC2CS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H15NO3S/c1-19-12-6-4-5-11(9-12)16-14-10-20(17,18)15-8-3-2-7-13(14)15/h2-9,14,16H,10H2,1H3
InChIKeyGNKXVLPBXOIYPE-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522812
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
CID 43522838
N-(3-ethynylphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522940
N-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522853
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
N-[(3aS,6aR)-5-methoxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 128884981
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
CID 43522817
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
CID 97083421
N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522989

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522877) is N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is COc1cccc(NC2CS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is GNKXVLPBXOIYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-12-6-4-5-11(9-12)16-14-10-20(17,18)15-8-3-2-7-13(14)15/h2-9,14,16H,10H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 289.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).