N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide

C18H21FN2O2S — CID 71803695

IUPACN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCN(C)c1ccc(C(O)CNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2S/c1-21(2)15-7-3-13(4-8-15)17(22)11-20-18(23)12-24-16-9-5-14(19)6-10-16/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyZYEOEMQUIROLDD-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.83
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 71803695) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID71803695
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCN(C)c1ccc(C(O)CNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2S/c1-21(2)15-7-3-13(4-8-15)17(22)11-20-18(23)12-24-16-9-5-14(19)6-10-16/h3-10,17,22H,11-12H2,1-2H3,(H,20,23)
InChIKeyZYEOEMQUIROLDD-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide 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-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110891386
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90581492
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 90581699

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 71803695) is N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide is CN(C)c1ccc(C(O)CNC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ZYEOEMQUIROLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-21(2)15-7-3-13(4-8-15)17(22)11-20-18(23)12-24-16-9-5-14(19)6-10-16/h3-10,17,22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 348.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 71803695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).