N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide

C18H20N4O4S2 — CID 56510606

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)n1
InChIInChI=1S/C18H20N4O4S2/c1-3-16-20-17(26-21-16)12-22(2)18(23)13-6-8-15(9-7-13)28(24,25)19-11-14-5-4-10-27-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyAUPGTSKUPFKGNH-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.44
Rot. Bonds8

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 56510606) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID56510606
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)n1
InChIInChI=1S/C18H20N4O4S2/c1-3-16-20-17(26-21-16)12-22(2)18(23)13-6-8-15(9-7-13)28(24,25)19-11-14-5-4-10-27-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyAUPGTSKUPFKGNH-UHFFFAOYSA-N
XLogP2.44
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)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-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119653300
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 56509825
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31327536
5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56521290
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 56510089
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954782

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 56510606) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide is CCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is AUPGTSKUPFKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-3-16-20-17(26-21-16)12-22(2)18(23)13-6-8-15(9-7-13)28(24,25)19-11-14-5-4-10-27-14/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 420.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 56510606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).