N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

C16H17ClN6O4S2 — CID 100540250

IUPACN-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1
InChIInChI=1S/C16H17ClN6O4S2/c1-16(2,3)13(24)20-14-21-22-15(28-14)29(25,26)18-8-11-19-12(23-27-11)9-5-4-6-10(17)7-9/h4-7,18H,8H2,1-3H3,(H,20,21,24)
InChIKeyHVXSCCVRPVSESW-UHFFFAOYSA-N
MW456.94 g/mol
LogP2.70
Rot. Bonds6

About N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 100540250) has the molecular formula C16H17ClN6O4S2 and a molecular weight of 456.94 g/mol. Its IUPAC name is N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID100540250
Molecular FormulaC16H17ClN6O4S2
Molecular Weight456.94 g/mol
Exact Mass456.04
IUPAC NameN-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1
InChIInChI=1S/C16H17ClN6O4S2/c1-16(2,3)13(24)20-14-21-22-15(28-14)29(25,26)18-8-11-19-12(23-27-11)9-5-4-6-10(17)7-9/h4-7,18H,8H2,1-3H3,(H,20,21,24)
InChIKeyHVXSCCVRPVSESW-UHFFFAOYSA-N
XLogP2.70
TPSA139.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide 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-[5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100510294
4-chloro-N-[5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100687525
2-chloro-N-[5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100628997
N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100515290
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 65263615
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
N-[5-[2-(4-chlorophenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100542061
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanehydrazide
CID 67071022
2,2-dimethyl-N-[5-(pyridin-3-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100548695
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 100540250) is N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1.
What is the InChIKey of N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is HVXSCCVRPVSESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O4S2/c1-16(2,3)13(24)20-14-21-22-15(28-14)29(25,26)18-8-11-19-12(23-27-11)9-5-4-6-10(17)7-9/h4-7,18H,8H2,1-3H3,(H,20,21,24).
What are the key properties of N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 456.94 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100540250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).