2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide

C17H20N2OS — CID 43303113

IUPAC2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1cc(N)ccc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-11-15(18)7-8-16(13)21-12-17(20)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyWEYZSSINHGITIX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.03
Rot. Bonds6

About 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide

2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 43303113) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID43303113
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1cc(N)ccc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-11-15(18)7-8-16(13)21-12-17(20)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyWEYZSSINHGITIX-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
CID 43302863
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 7488699
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-[4-(aminomethyl)-2-methylphenyl]sulfanyl-N-propylacetamide
CID 114234692
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide (CID 43303113) is 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide is Cc1cc(N)ccc1SCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is WEYZSSINHGITIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-11-15(18)7-8-16(13)21-12-17(20)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 43303113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).