N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide

C11H14N2OS — CID 61127296

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H14N2OS/c1-8-2-4-9(5-3-8)6-11(14)13-7-10(12)15/h2-5H,6-7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyDGSUPDIJGZRUNE-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.94
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide

N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide (PubChem CID 61127296) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide
PubChem CID61127296
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(N)=S)cc1
InChIInChI=1S/C11H14N2OS/c1-8-2-4-9(5-3-8)6-11(14)13-7-10(12)15/h2-5H,6-7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyDGSUPDIJGZRUNE-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)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-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
CID 61127076
N-(2-amino-2-sulfanylideneethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114372
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide (CID 61127296) is N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(N)=S)cc1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide?
The InChIKey is DGSUPDIJGZRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-2-4-9(5-3-8)6-11(14)13-7-10(12)15/h2-5H,6-7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide has a molecular weight of 222.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 61127296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).