2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

C17H20N2OS — CID 43302578

IUPAC2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2cc(C)ccc2C)c(N)c1
InChIInChI=1S/C17H20N2OS/c1-11-5-7-16(14(18)8-11)21-10-17(20)19-15-9-12(2)4-6-13(15)3/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyDEIRUGXOGXUYPC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.92
Rot. Bonds4

About 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 43302578) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID43302578
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2cc(C)ccc2C)c(N)c1
InChIInChI=1S/C17H20N2OS/c1-11-5-7-16(14(18)8-11)21-10-17(20)19-15-9-12(2)4-6-13(15)3/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyDEIRUGXOGXUYPC-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.92
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-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43303668
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
2-(2-amino-4-methylphenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43302530
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 43302578) is 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2cc(C)ccc2C)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is DEIRUGXOGXUYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-5-7-16(14(18)8-11)21-10-17(20)19-15-9-12(2)4-6-13(15)3/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.92, 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 43302578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).