N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

C17H17N3O2S2 — CID 46933806

IUPACN-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C17H17N3O2S2/c1-12-3-7-14(8-4-12)17-19-18-16(23-17)11-24(21,22)20-15-9-5-13(2)6-10-15/h3-10,20H,11H2,1-2H3
InChIKeyOINVXGRFKNHULY-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.76
Rot. Bonds5

About N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 46933806) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID46933806
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C17H17N3O2S2/c1-12-3-7-14(8-4-12)17-19-18-16(23-17)11-24(21,22)20-15-9-5-13(2)6-10-15/h3-10,20H,11H2,1-2H3
InChIKeyOINVXGRFKNHULY-UHFFFAOYSA-N
XLogP3.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide 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-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 46933806) is N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is OINVXGRFKNHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-3-7-14(8-4-12)17-19-18-16(23-17)11-24(21,22)20-15-9-5-13(2)6-10-15/h3-10,20H,11H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 46933806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).