2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide

C16H17ClN2OS — CID 43302526

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(Cl)c2C)c(N)c1
InChIInChI=1S/C16H17ClN2OS/c1-10-6-7-15(13(18)8-10)21-9-16(20)19-14-5-3-4-12(17)11(14)2/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyYFSMWIDITRJXLI-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide

2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 43302526) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID43302526
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(Cl)c2C)c(N)c1
InChIInChI=1S/C16H17ClN2OS/c1-10-6-7-15(13(18)8-10)21-9-16(20)19-14-5-3-4-12(17)11(14)2/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyYFSMWIDITRJXLI-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.27
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-bromophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 82838713
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide (CID 43302526) is 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2cccc(Cl)c2C)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is YFSMWIDITRJXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10-6-7-15(13(18)8-10)21-9-16(20)19-14-5-3-4-12(17)11(14)2/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 320.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 43302526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).