1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone

C15H15NO2S — CID 10107352

IUPAC1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
SMILESCOc1ccccc1Sc1cc(C(C)=O)ccc1N
InChIInChI=1S/C15H15NO2S/c1-10(17)11-7-8-12(16)15(9-11)19-14-6-4-3-5-13(14)18-2/h3-9H,16H2,1-2H3
InChIKeyGGHJALFHTNDTFQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone

1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone (PubChem CID 10107352) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
PubChem CID10107352
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
SMILESCOc1ccccc1Sc1cc(C(C)=O)ccc1N
InChIInChI=1S/C15H15NO2S/c1-10(17)11-7-8-12(16)15(9-11)19-14-6-4-3-5-13(14)18-2/h3-9H,16H2,1-2H3
InChIKeyGGHJALFHTNDTFQ-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
1-(4-amino-3-methylsulfanylphenyl)ethanone
CID 116998547
1-[3-[(2-amino-5-methylphenyl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 79127352
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
4-amino-3-(2-bromophenyl)sulfanylbenzoic acid
CID 82795924
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 61296725
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
methyl 5-amino-2-methoxy-4-(2-methoxycarbonylphenyl)sulfanylbenzoate
CID 118368546
3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline
CID 55085835
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
CID 81309619

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone (CID 10107352) is 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone is COc1ccccc1Sc1cc(C(C)=O)ccc1N.
What is the InChIKey of 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone?
The InChIKey is GGHJALFHTNDTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10(17)11-7-8-12(16)15(9-11)19-14-6-4-3-5-13(14)18-2/h3-9H,16H2,1-2H3.
What are the key properties of 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone?
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone has a molecular weight of 273.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 10107352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).