N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C17H20N2OS — CID 62772095

IUPACN-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C17H20N2OS/c1-12-6-3-4-8-14(12)10-21-11-16(20)19-17-13(2)7-5-9-15(17)18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyBPAGNYDYNQCUEG-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.76
Rot. Bonds5

About N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 62772095) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID62772095
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C17H20N2OS/c1-12-6-3-4-8-14(12)10-21-11-16(20)19-17-13(2)7-5-9-15(17)18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyBPAGNYDYNQCUEG-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.76
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

N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 62772095) is N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1c(C)cccc1N.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is BPAGNYDYNQCUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-6-3-4-8-14(12)10-21-11-16(20)19-17-13(2)7-5-9-15(17)18/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.76, 5 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-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 62772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).