N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide

C12H17NOS — CID 115167704

IUPACN-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
SMILESCc1ccc(C)c(N(C)C(=O)CCS)c1
InChIInChI=1S/C12H17NOS/c1-9-4-5-10(2)11(8-9)13(3)12(14)6-7-15/h4-5,8,15H,6-7H2,1-3H3
InChIKeyTXLYSAWSGAALNU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.59
Rot. Bonds3

About N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide

N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide (PubChem CID 115167704) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
PubChem CID115167704
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
SMILESCc1ccc(C)c(N(C)C(=O)CCS)c1
InChIInChI=1S/C12H17NOS/c1-9-4-5-10(2)11(8-9)13(3)12(14)6-7-15/h4-5,8,15H,6-7H2,1-3H3
InChIKeyTXLYSAWSGAALNU-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide 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

4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
N-methyl-N-(6-methylnaphthalen-2-yl)-3-sulfanylpropanamide
CID 115167807
N-[2-(2,5-dimethylphenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168067
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
1-[(2,5-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181848
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide (CID 115167704) is N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide is Cc1ccc(C)c(N(C)C(=O)CCS)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide?
The InChIKey is TXLYSAWSGAALNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-4-5-10(2)11(8-9)13(3)12(14)6-7-15/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide?
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 115167704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).