N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide

C22H24N4O2S — CID 3219223

IUPACN-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2S/c1-15-10-12-17(13-11-15)26(21(28)18-14-29-25-24-18)19(16-8-6-5-7-9-16)20(27)23-22(2,3)4/h5-14,19H,1-4H3,(H,23,27)
InChIKeyOHGPQERVJUZGIQ-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219223) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3219223
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2S/c1-15-10-12-17(13-11-15)26(21(28)18-14-29-25-24-18)19(16-8-6-5-7-9-16)20(27)23-22(2,3)4/h5-14,19H,1-4H3,(H,23,27)
InChIKeyOHGPQERVJUZGIQ-UHFFFAOYSA-N
XLogP4.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide 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-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide (CID 3219223) is N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is OHGPQERVJUZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-10-12-17(13-11-15)26(21(28)18-14-29-25-24-18)19(16-8-6-5-7-9-16)20(27)23-22(2,3)4/h5-14,19H,1-4H3,(H,23,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).