N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide

C15H15ClN2OS — CID 43377074

IUPACN-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESCc1cccc(N)c1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10-5-4-7-12(17)15(10)18-14(19)9-20-13-8-3-2-6-11(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyICEXBXPOVMJFCY-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.96
Rot. Bonds4

About N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide

N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide (PubChem CID 43377074) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
PubChem CID43377074
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESCc1cccc(N)c1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10-5-4-7-12(17)15(10)18-14(19)9-20-13-8-3-2-6-11(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyICEXBXPOVMJFCY-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.96
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-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43248918
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide (CID 43377074) is N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide is Cc1cccc(N)c1NC(=O)CSc1ccccc1Cl.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
The InChIKey is ICEXBXPOVMJFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-5-4-7-12(17)15(10)18-14(19)9-20-13-8-3-2-6-11(13)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide?
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide has a molecular weight of 306.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 43377074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).