N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide

C19H22FN3OS — CID 3767520

IUPACN-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide
SMILESCN1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2F)CC1
InChIInChI=1S/C19H22FN3OS/c1-22-9-11-23(12-10-22)18-8-7-15(13-17(18)20)21-19(24)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyWWVQLEMJBXHDDN-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.31
Rot. Bonds5

About N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide

N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 3767520) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide
PubChem CID3767520
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide
SMILESCN1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2F)CC1
InChIInChI=1S/C19H22FN3OS/c1-22-9-11-23(12-10-22)18-8-7-15(13-17(18)20)21-19(24)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyWWVQLEMJBXHDDN-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide 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

1-(4-Phenylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 817623
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
N-[4-(diethylamino)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 3236544
1-[3-[4-(2-Fluorophenyl)-1-piperazinyl]propyl]-3-[4-(methylthio)phenyl]urea
CID 3242768
N-(4-Dimethylamino-phenyl)-2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-acetamide
CID 3147997
2-[Cyclohexyl(methyl)amino]-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 4965445
Cambridge id 6788322
CID 783895
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
1-(4-Phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
CID 977226
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591864

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide (CID 3767520) is N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide is CN1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2F)CC1.
What is the InChIKey of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is WWVQLEMJBXHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-22-9-11-23(12-10-22)18-8-7-15(13-17(18)20)21-19(24)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide?
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 359.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 3767520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).