3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline

C15H17NO2S — CID 143111973

IUPAC3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline
SMILESCOc1ccc(NSc2ccc(C)cc2)cc1OC
InChIInChI=1S/C15H17NO2S/c1-11-4-7-13(8-5-11)19-16-12-6-9-14(17-2)15(10-12)18-3/h4-10,16H,1-3H3
InChIKeyGFQKKONCAGERMZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.13
Rot. Bonds5

About 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline

3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline (PubChem CID 143111973) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline
PubChem CID143111973
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline
SMILESCOc1ccc(NSc2ccc(C)cc2)cc1OC
InChIInChI=1S/C15H17NO2S/c1-11-4-7-13(8-5-11)19-16-12-6-9-14(17-2)15(10-12)18-3/h4-10,16H,1-3H3
InChIKeyGFQKKONCAGERMZ-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[2-[(4-methylphenyl)sulfanylamino]-1,3-benzothiazol-5-yl]urea
CID 167223525
4-methoxy-N-methyl-3-(4-methylanilino)sulfanylaniline
CID 156859678
4-[4-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]-N-(4-methylphenyl)sulfanylaniline
CID 145113430
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
N-fluoro-3,4-dimethoxyaniline
CID 91259644
methyl 4-methoxy-3-(4-methylanilino)sulfanylbenzoate
CID 144771560
4-chloro-N-(3,4-dimethoxyphenyl)sulfanyl-3-(1-methylpyrrolidin-3-yl)oxyaniline
CID 142184501
3-(3,4-dimethoxyanilino)-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 22550232
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline?
The IUPAC name of 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline (CID 143111973) is 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline.
What is the SMILES notation for 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline?
The canonical SMILES for 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline is COc1ccc(NSc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline?
The InChIKey is GFQKKONCAGERMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-4-7-13(8-5-11)19-16-12-6-9-14(17-2)15(10-12)18-3/h4-10,16H,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline?
3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline has a molecular weight of 275.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-methylphenyl)sulfanylaniline is sourced from PubChem (CID 143111973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).