(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone

C16H13NO2S — CID 81414226

IUPAC(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone
SMILESCOc1cccc(N)c1C(=O)c1csc2ccccc12
InChIInChI=1S/C16H13NO2S/c1-19-13-7-4-6-12(17)15(13)16(18)11-9-20-14-8-3-2-5-10(11)14/h2-9H,17H2,1H3
InChIKeyFUJTZVLDLYQWPB-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.72
Rot. Bonds3

About (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone

(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone (PubChem CID 81414226) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone
PubChem CID81414226
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone
SMILESCOc1cccc(N)c1C(=O)c1csc2ccccc12
InChIInChI=1S/C16H13NO2S/c1-19-13-7-4-6-12(17)15(13)16(18)11-9-20-14-8-3-2-5-10(11)14/h2-9H,17H2,1H3
InChIKeyFUJTZVLDLYQWPB-UHFFFAOYSA-N
XLogP3.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
ethyl 1-benzothiophene-3-carboxylate
CID 898679
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968652
(2-amino-6-methoxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 81414149
3-(2-methoxyphenyl)-1-benzothiophene
CID 3358919
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone (CID 81414226) is (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone is COc1cccc(N)c1C(=O)c1csc2ccccc12.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone?
The InChIKey is FUJTZVLDLYQWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-19-13-7-4-6-12(17)15(13)16(18)11-9-20-14-8-3-2-5-10(11)14/h2-9H,17H2,1H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone?
(2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 81414226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).