4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide

C21H26N2O2S3 — CID 50839245

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESCC(C)c1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1
InChIInChI=1S/C21H26N2O2S3/c1-14(2)16-8-6-15(7-9-16)11-22-28(24,25)19-10-17(12-26-19)20-23-18(13-27-20)21(3,4)5/h6-10,12-14,22H,11H2,1-5H3
InChIKeyAIJMIWRYQUDJHD-UHFFFAOYSA-N
MW434.65 g/mol
LogP5.77
Rot. Bonds6

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 50839245) has the molecular formula C21H26N2O2S3 and a molecular weight of 434.65 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID50839245
Molecular FormulaC21H26N2O2S3
Molecular Weight434.65 g/mol
Exact Mass434.12
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESCC(C)c1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1
InChIInChI=1S/C21H26N2O2S3/c1-14(2)16-8-6-15(7-9-16)11-22-28(24,25)19-10-17(12-26-19)20-23-18(13-27-20)21(3,4)5/h6-10,12-14,22H,11H2,1-5H3
InChIKeyAIJMIWRYQUDJHD-UHFFFAOYSA-N
XLogP5.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.65
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide 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

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53133541
N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839010
N-[(2-chlorophenyl)methyl]-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839136
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 50839340
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24648488
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292
N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135094
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 53126834
3-methylsulfonyl-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 75413450
1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169386846
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide (CID 50839245) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide is CC(C)c1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is AIJMIWRYQUDJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S3/c1-14(2)16-8-6-15(7-9-16)11-22-28(24,25)19-10-17(12-26-19)20-23-18(13-27-20)21(3,4)5/h6-10,12-14,22H,11H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 434.65 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 50839245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).