N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide

C16H19F2N3O3S2 — CID 24855758

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1nnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H19F2N3O3S2/c1-15(2,3)13-20-21-14(25-13)19-12(22)16(4,5)26(23,24)11-7-6-9(17)8-10(11)18/h6-8H,1-5H3,(H,19,21,22)
InChIKeyPREYIBPLHGKDRT-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.30
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 24855758) has the molecular formula C16H19F2N3O3S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID24855758
Molecular FormulaC16H19F2N3O3S2
Molecular Weight403.48 g/mol
Exact Mass403.08
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1nnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H19F2N3O3S2/c1-15(2,3)13-20-21-14(25-13)19-12(22)16(4,5)26(23,24)11-7-6-9(17)8-10(11)18/h6-8H,1-5H3,(H,19,21,22)
InChIKeyPREYIBPLHGKDRT-UHFFFAOYSA-N
XLogP3.30
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide 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-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide (CID 24855758) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1nnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(F)cc2F)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is PREYIBPLHGKDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S2/c1-15(2,3)13-20-21-14(25-13)19-12(22)16(4,5)26(23,24)11-7-6-9(17)8-10(11)18/h6-8H,1-5H3,(H,19,21,22).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 403.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 24855758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).