N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide

C19H24N2O4S2 — CID 3618239

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(SC)cc2OC)c1
InChIInChI=1S/C19H24N2O4S2/c1-5-21(6-2)27(23,24)16-9-7-8-14(12-16)20-19(22)17-11-10-15(26-4)13-18(17)25-3/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyFUFJTJIMNDGPNP-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.70
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide

N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 3618239) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID3618239
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(SC)cc2OC)c1
InChIInChI=1S/C19H24N2O4S2/c1-5-21(6-2)27(23,24)16-9-7-8-14(12-16)20-19(22)17-11-10-15(26-4)13-18(17)25-3/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyFUFJTJIMNDGPNP-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide (CID 3618239) is N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(SC)cc2OC)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is FUFJTJIMNDGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-5-21(6-2)27(23,24)16-9-7-8-14(12-16)20-19(22)17-11-10-15(26-4)13-18(17)25-3/h7-13H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 3618239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).