N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide

C16H18N2OS — CID 61244892

IUPACN-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
SMILESCc1cccc(SCC(=O)Nc2ccc(N)cc2C)c1
InChIInChI=1S/C16H18N2OS/c1-11-4-3-5-14(8-11)20-10-16(19)18-15-7-6-13(17)9-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyCPVQDSQDGYCJGZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.62
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide

N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide (PubChem CID 61244892) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
PubChem CID61244892
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
SMILESCc1cccc(SCC(=O)Nc2ccc(N)cc2C)c1
InChIInChI=1S/C16H18N2OS/c1-11-4-3-5-14(8-11)20-10-16(19)18-15-7-6-13(17)9-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyCPVQDSQDGYCJGZ-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 79133682
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962656
2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902461
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 60594383
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide (CID 61244892) is N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide is Cc1cccc(SCC(=O)Nc2ccc(N)cc2C)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide?
The InChIKey is CPVQDSQDGYCJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-4-3-5-14(8-11)20-10-16(19)18-15-7-6-13(17)9-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide?
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide has a molecular weight of 286.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 61244892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).