N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide

C19H22N4O2S3 — CID 2345311

IUPACN-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C19H22N4O2S3/c1-14-9-11-16(12-10-14)28(24,25)23-19(2,3)13-26-18-22-21-17(27-18)20-15-7-5-4-6-8-15/h4-12,23H,13H2,1-3H3,(H,20,21)
InChIKeyIZBZUWJPIHHYHE-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.44
Rot. Bonds8

About N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide

N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 2345311) has the molecular formula C19H22N4O2S3 and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID2345311
Molecular FormulaC19H22N4O2S3
Molecular Weight434.61 g/mol
Exact Mass434.09
IUPAC NameN-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C19H22N4O2S3/c1-14-9-11-16(12-10-14)28(24,25)23-19(2,3)13-26-18-22-21-17(27-18)20-15-7-5-4-6-8-15/h4-12,23H,13H2,1-3H3,(H,20,21)
InChIKeyIZBZUWJPIHHYHE-UHFFFAOYSA-N
XLogP4.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide 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-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide (CID 2345311) is N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is IZBZUWJPIHHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S3/c1-14-9-11-16(12-10-14)28(24,25)23-19(2,3)13-26-18-22-21-17(27-18)20-15-7-5-4-6-8-15/h4-12,23H,13H2,1-3H3,(H,20,21).
What are the key properties of N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 434.61 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-methylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2345311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).