4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide

C19H21ClN2O3S — CID 31543343

IUPAC4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-22(2)19(24)14-3-7-16(8-4-14)21-18(23)13-26-12-11-25-17-9-5-15(20)6-10-17/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyYTUBBQMOJSVBDS-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.79
Rot. Bonds8

About 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 31543343) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID31543343
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-22(2)19(24)14-3-7-16(8-4-14)21-18(23)13-26-12-11-25-17-9-5-15(20)6-10-17/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyYTUBBQMOJSVBDS-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide 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-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 38113456
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide
CID 32523241
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide (CID 31543343) is 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CSCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is YTUBBQMOJSVBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-22(2)19(24)14-3-7-16(8-4-14)21-18(23)13-26-12-11-25-17-9-5-15(20)6-10-17/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 31543343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).