3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide

C21H25N3O5S2 — CID 42907314

IUPAC3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccccc1OCC(=O)N1CC(C)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H25N3O5S2/c1-15-13-24(20(25)14-29-19-11-6-5-10-18(19)28-4)21(30-15)22-16-8-7-9-17(12-16)31(26,27)23(2)3/h5-12,15H,13-14H2,1-4H3/b22-21-
InChIKeyQGTLUFKYZVMETP-DQRAZIAOSA-N
MW463.58 g/mol
LogP2.98
Rot. Bonds7

About 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide

3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 42907314) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID42907314
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC Name3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccccc1OCC(=O)N1CC(C)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H25N3O5S2/c1-15-13-24(20(25)14-29-19-11-6-5-10-18(19)28-4)21(30-15)22-16-8-7-9-17(12-16)31(26,27)23(2)3/h5-12,15H,13-14H2,1-4H3/b22-21-
InChIKeyQGTLUFKYZVMETP-DQRAZIAOSA-N
XLogP2.98
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide 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,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 3478045
N,N-dimethyl-3-[[5-methyl-3-[4-(3-methylphenoxy)butanoyl]-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 4241065
3-[[(5R)-3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 7742194
3-[[3-[3-[4-(dimethylamino)phenyl]propanoyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 24555088
3-[[3-(4-methoxy-3-nitrobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3293753
3-[[3-(2-fluorobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3989778
3-[[3-(2,3-dihydro-1-benzothiophene-2-carbonyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 24593515
2-(2-methoxyphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738067
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
1-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methoxyphenoxy)ethanone
CID 8780941
(4-methoxyphenyl)-[(5R)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
CID 8839909
methyl 4-[2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133239012

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide (CID 42907314) is 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide is COc1ccccc1OCC(=O)N1CC(C)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QGTLUFKYZVMETP-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-15-13-24(20(25)14-29-19-11-6-5-10-18(19)28-4)21(30-15)22-16-8-7-9-17(12-16)31(26,27)23(2)3/h5-12,15H,13-14H2,1-4H3/b22-21-.
What are the key properties of 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide?
3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 463.58 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 42907314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).