N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

C26H32N4O4S2 — CID 146539334

IUPACN-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(-c3ccc(N4COC(C)(C)C4)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H32N4O4S2/c1-17(31)28-19-9-12-21(23(13-19)36(32,33)29-25(2,3)4)22-14-27-24(35-22)18-7-10-20(11-8-18)30-15-26(5,6)34-16-30/h7-14,29H,15-16H2,1-6H3,(H,28,31)
InChIKeyDTFYHPJRJWAFML-UHFFFAOYSA-N
MW528.70 g/mol
LogP5.09
Rot. Bonds6

About N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (PubChem CID 146539334) has the molecular formula C26H32N4O4S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
PubChem CID146539334
Molecular FormulaC26H32N4O4S2
Molecular Weight528.70 g/mol
Exact Mass528.19
IUPAC NameN-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(-c3ccc(N4COC(C)(C)C4)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H32N4O4S2/c1-17(31)28-19-9-12-21(23(13-19)36(32,33)29-25(2,3)4)22-14-27-24(35-22)18-7-10-20(11-8-18)30-15-26(5,6)34-16-30/h7-14,29H,15-16H2,1-6H3,(H,28,31)
InChIKeyDTFYHPJRJWAFML-UHFFFAOYSA-N
XLogP5.09
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide 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

N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 157178525
N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
CID 164991736
N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]acetamide;4-(5-bromo-1,3-thiazol-2-yl)aniline;N-[3-(tert-butylsulfamoyl)-4-methylphenyl]acetamide;methane
CID 158354690
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(methanethioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 142516649
ethyl N-[4-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]carbamate
CID 137411912
N-[3-(tert-butylsulfamoyl)-4-[5-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 137411781
(4-nitrophenyl) N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]carbamate
CID 142516803
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
2-[2-(4-aminophenyl)-1,3-thiazol-5-yl]-N-tert-butyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 137408568
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(phenylmethoxycarbonylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
CID 137411872
ethyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-ylcarbamothioylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 137411908

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (CID 146539334) is N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc(-c3ccc(N4COC(C)(C)C4)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
The InChIKey is DTFYHPJRJWAFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S2/c1-17(31)28-19-9-12-21(23(13-19)36(32,33)29-25(2,3)4)22-14-27-24(35-22)18-7-10-20(11-8-18)30-15-26(5,6)34-16-30/h7-14,29H,15-16H2,1-6H3,(H,28,31).
What are the key properties of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?
N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide has a molecular weight of 528.70 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 146539334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).