3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline

C16H19NOS — CID 143476654

IUPAC3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline
SMILESCCc1ccccc1Sc1cc(C)cc(NOC)c1
InChIInChI=1S/C16H19NOS/c1-4-13-7-5-6-8-16(13)19-15-10-12(2)9-14(11-15)17-18-3/h5-11,17H,4H2,1-3H3
InChIKeyJZLYZXMUQBAMKN-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.68
Rot. Bonds5

About 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline

3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline (PubChem CID 143476654) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline.

Molecular Properties

Compound Name3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline
PubChem CID143476654
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline
SMILESCCc1ccccc1Sc1cc(C)cc(NOC)c1
InChIInChI=1S/C16H19NOS/c1-4-13-7-5-6-8-16(13)19-15-10-12(2)9-14(11-15)17-18-3/h5-11,17H,4H2,1-3H3
InChIKeyJZLYZXMUQBAMKN-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
methyl 2-[2-(4-hydroxyphenyl)sulfanylphenyl]acetate
CID 18365028
2,6-dibromo-4-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenol
CID 69012309
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
CID 18000111
1-(2-chlorophenyl)sulfanyl-3,5-dimethylbenzene
CID 12026855
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
methyl 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetate
CID 15125730
1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea
CID 23935734
2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044779

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline?
The IUPAC name of 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline (CID 143476654) is 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline.
What is the SMILES notation for 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline?
The canonical SMILES for 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline is CCc1ccccc1Sc1cc(C)cc(NOC)c1.
What is the InChIKey of 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline?
The InChIKey is JZLYZXMUQBAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-13-7-5-6-8-16(13)19-15-10-12(2)9-14(11-15)17-18-3/h5-11,17H,4H2,1-3H3.
What are the key properties of 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline?
3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)sulfanyl-N-methoxy-5-methylaniline is sourced from PubChem (CID 143476654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).