N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide

C13H19ClN2OS — CID 134064494

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSCCN(C)C
InChIInChI=1S/C13H19ClN2OS/c1-10-4-5-11(14)8-12(10)15-13(17)9-18-7-6-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyPBPGBDDZZVVFHY-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.88
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide

N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide (PubChem CID 134064494) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
PubChem CID134064494
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSCCN(C)C
InChIInChI=1S/C13H19ClN2OS/c1-10-4-5-11(14)8-12(10)15-13(17)9-18-7-6-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyPBPGBDDZZVVFHY-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]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-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 38113456
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(2-chloro-4-nitrophenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 18543578
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide (CID 134064494) is N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide is Cc1ccc(Cl)cc1NC(=O)CSCCN(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The InChIKey is PBPGBDDZZVVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-10-4-5-11(14)8-12(10)15-13(17)9-18-7-6-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide has a molecular weight of 286.83 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide is sourced from PubChem (CID 134064494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).