N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C18H17N3O3S2 — CID 3350855

IUPACN-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCN(C)C=C1SC(=NS(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O3S2/c1-20(2)13-16-17(22)21(14-9-5-3-6-10-14)18(25-16)19-26(23,24)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyVGXQDPVUMICOAF-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.91
Rot. Bonds4

About N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide

N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 3350855) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID3350855
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCN(C)C=C1SC(=NS(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O3S2/c1-20(2)13-16-17(22)21(14-9-5-3-6-10-14)18(25-16)19-26(23,24)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyVGXQDPVUMICOAF-UHFFFAOYSA-N
XLogP2.91
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(5E)-5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 18398150
4-chloro-N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 3410074
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2732563
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2732120
N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 2133648
4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
N-[5-(dimethylaminomethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 3669236
N-[3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 4617574
N-[(5E)-3-cyclohexyl-5-(dimethylaminomethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273285
N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 7343736
(NE)-N-[(5Z)-3-ethyl-5-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6053632
(NE)-N-(5,5-dimethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
CID 6035654

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 3350855) is N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide is CN(C)C=C1SC(=NS(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is VGXQDPVUMICOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-20(2)13-16-17(22)21(14-9-5-3-6-10-14)18(25-16)19-26(23,24)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 387.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 3350855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).