2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C23H26N4O3S2 — CID 137408568

IUPAC2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N2CCCC2=O)ccc1-c1cnc(-c2ccc(N)cc2)s1
InChIInChI=1S/C23H26N4O3S2/c1-23(2,3)26-32(29,30)20-13-17(27-12-4-5-21(27)28)10-11-18(20)19-14-25-22(31-19)15-6-8-16(24)9-7-15/h6-11,13-14,26H,4-5,12,24H2,1-3H3
InChIKeyUUHJWCJQRJIXKW-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 137408568) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID137408568
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC Name2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N2CCCC2=O)ccc1-c1cnc(-c2ccc(N)cc2)s1
InChIInChI=1S/C23H26N4O3S2/c1-23(2,3)26-32(29,30)20-13-17(27-12-4-5-21(27)28)10-11-18(20)19-14-25-22(31-19)15-6-8-16(24)9-7-15/h6-11,13-14,26H,4-5,12,24H2,1-3H3
InChIKeyUUHJWCJQRJIXKW-UHFFFAOYSA-N
XLogP4.26
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide 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

2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-5-(3-benzyl-2-oxoimidazolidin-1-yl)-N-tert-butylbenzenesulfonamide
CID 137408606
dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate
CID 160557878
ethyl N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]carbamate
CID 137411912
1-[4-[5-[4-(3-benzyl-2-oxoimidazolidin-1-yl)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]phenyl]-3-propan-2-ylthiourea
CID 137412027
N-tert-butyl-5-ethenyl-2-[2-[4-(methylamino)phenyl]-1,3-thiazol-5-yl]benzenesulfonamide
CID 142516661
N-tert-butyl-5-[(1-methylimidazol-2-yl)amino]-2-[2-(4-methylphenyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 164973464
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
CID 146539257
tert-butyl (2S)-2-[[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamoyloxymethyl]pyrrolidine-1-carboxylate
CID 137411792
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 137411781
1-(4-aminophenyl)piperidin-2-one
CID 11458178
isothiocyanatomethylbenzene;propan-2-yl N-[4-[5-[4-amino-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[4-(benzylcarbamothioylamino)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
CID 159493314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 137408568) is 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(N2CCCC2=O)ccc1-c1cnc(-c2ccc(N)cc2)s1.
What is the InChIKey of 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is UUHJWCJQRJIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-23(2,3)26-32(29,30)20-13-17(27-12-4-5-21(27)28)10-11-18(20)19-14-25-22(31-19)15-6-8-16(24)9-7-15/h6-11,13-14,26H,4-5,12,24H2,1-3H3.
What are the key properties of 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 470.62 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 137408568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).