3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide

C20H25FN2OS — CID 60566492

IUPAC3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide
SMILESCN(CCCCNC(=O)CCSc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H25FN2OS/c1-23(17-9-3-2-4-10-17)15-8-7-14-22-20(24)13-16-25-19-12-6-5-11-18(19)21/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,24)
InChIKeyZILYWPONMBCETB-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.34
Rot. Bonds10

About 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide (PubChem CID 60566492) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide
PubChem CID60566492
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide
SMILESCN(CCCCNC(=O)CCSc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H25FN2OS/c1-23(17-9-3-2-4-10-17)15-8-7-14-22-20(24)13-16-25-19-12-6-5-11-18(19)21/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,24)
InChIKeyZILYWPONMBCETB-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide 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

3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide
CID 60565666
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34452082
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)propanamide
CID 60566428
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide (CID 60566492) is 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide is CN(CCCCNC(=O)CCSc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide?
The InChIKey is ZILYWPONMBCETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-23(17-9-3-2-4-10-17)15-8-7-14-22-20(24)13-16-25-19-12-6-5-11-18(19)21/h2-6,9-12H,7-8,13-16H2,1H3,(H,22,24).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide is sourced from PubChem (CID 60566492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).