2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide

C13H20N2O2S — CID 79147488

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1cccc(C)c1N
InChIInChI=1S/C13H20N2O2S/c1-10-5-3-6-11(13(10)14)18-9-12(16)15-7-4-8-17-2/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyYUFPZUAXWHOTQZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.82
Rot. Bonds7

About 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide

2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide (PubChem CID 79147488) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
PubChem CID79147488
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1cccc(C)c1N
InChIInChI=1S/C13H20N2O2S/c1-10-5-3-6-11(13(10)14)18-9-12(16)15-7-4-8-17-2/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyYUFPZUAXWHOTQZ-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-amino-3-methylphenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 79129764
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 78784613
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide (CID 79147488) is 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
The InChIKey is YUFPZUAXWHOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-3-6-11(13(10)14)18-9-12(16)15-7-4-8-17-2/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 79147488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).