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

C16H18N2OS — CID 60891052

IUPACN-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(N)cc1NC(=O)CSc1ccccc1C
InChIInChI=1S/C16H18N2OS/c1-11-7-8-13(17)9-14(11)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySCEXCTUHTBQDDG-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.62
Rot. Bonds4

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

N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 60891052) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID60891052
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(N)cc1NC(=O)CSc1ccccc1C
InChIInChI=1S/C16H18N2OS/c1-11-7-8-13(17)9-14(11)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySCEXCTUHTBQDDG-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-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43303668
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29268840
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide (CID 60891052) is N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccc(N)cc1NC(=O)CSc1ccccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is SCEXCTUHTBQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-7-8-13(17)9-14(11)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(5-amino-2-methylphenyl)-2-(2-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-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 60891052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).