N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide

C11H16N2OS — CID 43303052

IUPACN-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1ccc(N)cc1C
InChIInChI=1S/C11H16N2OS/c1-8-7-10(12)3-4-11(8)15-6-5-13-9(2)14/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyZSUSLQQQJULKLP-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide

N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide (PubChem CID 43303052) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide
PubChem CID43303052
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1ccc(N)cc1C
InChIInChI=1S/C11H16N2OS/c1-8-7-10(12)3-4-11(8)15-6-5-13-9(2)14/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyZSUSLQQQJULKLP-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-amino-2-methylphenyl)sulfanylethyl]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

N-[2-(2-amino-5-methylphenyl)sulfanylethyl]acetamide
CID 79142236
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
CID 43302863
3-(4-amino-2-methylphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626257
N-[2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylethyl]acetamide
CID 43251149
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
4-(4-amino-2-methylphenyl)sulfanyl-3-methylbut-2-enoic acid
CID 77005662
3-methyl-4-(4-methylpentylsulfanyl)aniline
CID 83158770
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 43303210
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
N-[2-(2,5-diamino-4-nitrophenyl)sulfanylethyl]acetamide
CID 15295168
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide (CID 43303052) is N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide is CC(=O)NCCSc1ccc(N)cc1C.
What is the InChIKey of N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is ZSUSLQQQJULKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-7-10(12)3-4-11(8)15-6-5-13-9(2)14/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide?
N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 224.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 43303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).