2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide

C10H14N2O2S — CID 79519027

IUPAC2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cc(OC)ccc1N
InChIInChI=1S/C10H14N2O2S/c1-12-10(13)6-15-9-5-7(14-2)3-4-8(9)11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyYSZGYRFWQNKBQS-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.12
Rot. Bonds4

About 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide

2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide (PubChem CID 79519027) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
PubChem CID79519027
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cc(OC)ccc1N
InChIInChI=1S/C10H14N2O2S/c1-12-10(13)6-15-9-5-7(14-2)3-4-8(9)11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyYSZGYRFWQNKBQS-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.12
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

2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79512592
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
3-(2-amino-5-methoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630325
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide (CID 79519027) is 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide is CNC(=O)CSc1cc(OC)ccc1N.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide?
The InChIKey is YSZGYRFWQNKBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-12-10(13)6-15-9-5-7(14-2)3-4-8(9)11/h3-5H,6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide?
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide has a molecular weight of 226.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 79519027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).