4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide

C21H26N2O4S2 — CID 100560748

IUPAC4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C(C)C
InChIInChI=1S/C21H26N2O4S2/c1-12(2)16-11-20(14(5)9-18(16)27-6)29(25,26)22-15-7-8-17-19(10-15)28-21(24)23(17)13(3)4/h7-13,22H,1-6H3
InChIKeySASLLVKPBDOKIL-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.89
Rot. Bonds6

About 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide

4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 100560748) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide
PubChem CID100560748
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C(C)C
InChIInChI=1S/C21H26N2O4S2/c1-12(2)16-11-20(14(5)9-18(16)27-6)29(25,26)22-15-7-8-17-19(10-15)28-21(24)23(17)13(3)4/h7-13,22H,1-6H3
InChIKeySASLLVKPBDOKIL-UHFFFAOYSA-N
XLogP4.89
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide 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-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100536303
3-fluoro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100556695
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100548336
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
N-(2-methyl-6-propan-2-ylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100730465
N-(3,5-dimethylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100728193
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553095
3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide
CID 100703019
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
CID 50800114
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide (CID 100560748) is 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is SASLLVKPBDOKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-12(2)16-11-20(14(5)9-18(16)27-6)29(25,26)22-15-7-8-17-19(10-15)28-21(24)23(17)13(3)4/h7-13,22H,1-6H3.
What are the key properties of 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide?
4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 434.58 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 100560748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).