N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide

C19H21F2NO2S — CID 46634104

IUPACN-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide
SMILESCc1cc(C)cc(OCCSC(C)C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2NO2S/c1-12-8-13(2)10-16(9-12)24-6-7-25-14(3)19(23)22-18-5-4-15(20)11-17(18)21/h4-5,8-11,14H,6-7H2,1-3H3,(H,22,23)
InChIKeyHYGSRMAZOLNVRU-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.72
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide

N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide (PubChem CID 46634104) has the molecular formula C19H21F2NO2S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide
PubChem CID46634104
Molecular FormulaC19H21F2NO2S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide
SMILESCc1cc(C)cc(OCCSC(C)C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2NO2S/c1-12-8-13(2)10-16(9-12)24-6-7-25-14(3)19(23)22-18-5-4-15(20)11-17(18)21/h4-5,8-11,14H,6-7H2,1-3H3,(H,22,23)
InChIKeyHYGSRMAZOLNVRU-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]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

2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide
CID 18290907
N-(2,4-difluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463782
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675180
(2S)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675179
N-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanamide
CID 60542182
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide (CID 46634104) is N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide is Cc1cc(C)cc(OCCSC(C)C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide?
The InChIKey is HYGSRMAZOLNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2S/c1-12-8-13(2)10-16(9-12)24-6-7-25-14(3)19(23)22-18-5-4-15(20)11-17(18)21/h4-5,8-11,14H,6-7H2,1-3H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide?
N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide has a molecular weight of 365.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 46634104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).