2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide

C21H25N3O4S2 — CID 16592442

IUPAC2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCS/C2=N\c2ccccc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H25N3O4S2/c1-14(2)23-30(26,27)19-13-16(9-10-18(19)28-4)20(25)24-11-12-29-21(24)22-17-8-6-5-7-15(17)3/h5-10,13-14,23H,11-12H2,1-4H3/b22-21-
InChIKeyGWSSGUZFJZAXHA-DQRAZIAOSA-N
MW447.58 g/mol
LogP3.57
Rot. Bonds6

About 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide

2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 16592442) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID16592442
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC Name2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCS/C2=N\c2ccccc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H25N3O4S2/c1-14(2)23-30(26,27)19-13-16(9-10-18(19)28-4)20(25)24-11-12-29-21(24)22-17-8-6-5-7-15(17)3/h5-10,13-14,23H,11-12H2,1-4H3/b22-21-
InChIKeyGWSSGUZFJZAXHA-DQRAZIAOSA-N
XLogP3.57
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
N-propan-2-yl-4-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbonyl]benzenesulfonamide
CID 16592422
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide
CID 43060412
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 18286787
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 27734150
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 16592442) is 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide is COc1ccc(C(=O)N2CCS/C2=N\c2ccccc2C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GWSSGUZFJZAXHA-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-14(2)23-30(26,27)19-13-16(9-10-18(19)28-4)20(25)24-11-12-29-21(24)22-17-8-6-5-7-15(17)3/h5-10,13-14,23H,11-12H2,1-4H3/b22-21-.
What are the key properties of 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide?
2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 447.58 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 16592442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).