3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide

C11H16N2O2S — CID 79829901

IUPAC3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
SMILESCOc1cc(N)ccc1SCC(C)C(N)=O
InChIInChI=1S/C11H16N2O2S/c1-7(11(13)14)6-16-10-4-3-8(12)5-9(10)15-2/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFAXJSPFDNYDNSL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.49
Rot. Bonds5

About 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide

3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide (PubChem CID 79829901) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
PubChem CID79829901
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
SMILESCOc1cc(N)ccc1SCC(C)C(N)=O
InChIInChI=1S/C11H16N2O2S/c1-7(11(13)14)6-16-10-4-3-8(12)5-9(10)15-2/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFAXJSPFDNYDNSL-UHFFFAOYSA-N
XLogP1.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
2-(4-amino-2-methoxyphenyl)sulfanylpropanamide
CID 79822587
2-[2-[(4-amino-2-methoxyphenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461036
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79830616
3-methoxy-4-(2-methoxyethylsulfanyl)aniline
CID 79822502
4-(2-fluoroethylsulfanyl)-3-methoxyaniline
CID 80694260
4-(4-amino-2-methoxyphenyl)sulfanyl-N,N-dimethylbutanamide
CID 79830452
3-[(4-amino-2-methoxyphenyl)sulfanylmethyl]-4-fluorobenzamide
CID 79836686
4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899304
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide (CID 79829901) is 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide is COc1cc(N)ccc1SCC(C)C(N)=O.
What is the InChIKey of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide?
The InChIKey is FAXJSPFDNYDNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(11(13)14)6-16-10-4-3-8(12)5-9(10)15-2/h3-5,7H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide?
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide has a molecular weight of 240.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 79829901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).