N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide

C18H21ClN2O2S — CID 38113456

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-21(2)11-12-24-13-18(22)20-15-5-9-17(10-6-15)23-16-7-3-14(19)4-8-16/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyYRFSDWAGURUOAZ-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.37
Rot. Bonds8

About N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide

N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide (PubChem CID 38113456) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide
PubChem CID38113456
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2S/c1-21(2)11-12-24-13-18(22)20-15-5-9-17(10-6-15)23-16-7-3-14(19)4-8-16/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyYRFSDWAGURUOAZ-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-chlorophenoxy)phenyl]-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

4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 31543343
N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064494
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064800
2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 134064922
2-(4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethylamino]phenyl]acetamide
CID 112981318
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
CID 23653294
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 2075802

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide (CID 38113456) is N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide is CN(C)CCSCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The InChIKey is YRFSDWAGURUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-21(2)11-12-24-13-18(22)20-15-5-9-17(10-6-15)23-16-7-3-14(19)4-8-16/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide has a molecular weight of 364.90 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethylsulfanyl]acetamide is sourced from PubChem (CID 38113456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).