N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide

C18H21FN2O3S2 — CID 24644388

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCCSCc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S2/c1-13-7-8-15(26(23,24)20-2)11-16(13)18(22)21-9-10-25-12-14-5-3-4-6-17(14)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyLMXHGWZLBNNQQX-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.71
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 24644388) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID24644388
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCCSCc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S2/c1-13-7-8-15(26(23,24)20-2)11-16(13)18(22)21-9-10-25-12-14-5-3-4-6-17(14)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyLMXHGWZLBNNQQX-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide 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

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 28590197
4-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196852
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
3-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196838
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27865734
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-oxochromene-3-carboxamide
CID 8743684
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 24644388) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NCCSCc2ccccc2F)c1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is LMXHGWZLBNNQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c1-13-7-8-15(26(23,24)20-2)11-16(13)18(22)21-9-10-25-12-14-5-3-4-6-17(14)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 24644388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).