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

C19H21N3O3S2 — CID 15945361

IUPAC3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C19H21N3O3S2/c1-14-13-22(18(23)15-8-5-4-6-9-15)19(26-14)20-16-10-7-11-17(12-16)27(24,25)21(2)3/h4-12,14H,13H2,1-3H3/b20-19-
InChIKeyPGQUQUOTHZHMPG-VXPUYCOJSA-N
MW403.53 g/mol
LogP3.20
Rot. Bonds4

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

3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 15945361) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID15945361
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C19H21N3O3S2/c1-14-13-22(18(23)15-8-5-4-6-9-15)19(26-14)20-16-10-7-11-17(12-16)27(24,25)21(2)3/h4-12,14H,13H2,1-3H3/b20-19-
InChIKeyPGQUQUOTHZHMPG-VXPUYCOJSA-N
XLogP3.20
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide (CID 15945361) is 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide is CC1CN(C(=O)c2ccccc2)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1.
What is the InChIKey of 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is PGQUQUOTHZHMPG-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-14-13-22(18(23)15-8-5-4-6-9-15)19(26-14)20-16-10-7-11-17(12-16)27(24,25)21(2)3/h4-12,14H,13H2,1-3H3/b20-19-.
What are the key properties of 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 403.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 15945361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).