N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide

C16H18N2O2S — CID 29031142

IUPACN-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-6-7-12(17)8-15(11)18-16(19)10-21-14-5-3-4-13(9-14)20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyWPFDHNQIHOXVOJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.32
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 29031142) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID29031142
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-6-7-12(17)8-15(11)18-16(19)10-21-14-5-3-4-13(9-14)20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyWPFDHNQIHOXVOJ-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.32
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

N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
CID 61244892
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803715
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 29031142) is N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2cc(N)ccc2C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is WPFDHNQIHOXVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-6-7-12(17)8-15(11)18-16(19)10-21-14-5-3-4-13(9-14)20-2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 302.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 29031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).