N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide

C20H23N3O3S2 — CID 3478045

IUPACN,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
SMILESCC1CN(C(=O)Cc2ccccc2)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C20H23N3O3S2/c1-15-14-23(19(24)12-16-8-5-4-6-9-16)20(27-15)21-17-10-7-11-18(13-17)28(25,26)22(2)3/h4-11,13,15H,12,14H2,1-3H3/b21-20-
InChIKeyTZBWXSVZBBBHPS-MRCUWXFGSA-N
MW417.56 g/mol
LogP3.13
Rot. Bonds5

About N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide

N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide (PubChem CID 3478045) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
PubChem CID3478045
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
SMILESCC1CN(C(=O)Cc2ccccc2)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C20H23N3O3S2/c1-15-14-23(19(24)12-16-8-5-4-6-9-16)20(27-15)21-17-10-7-11-18(13-17)28(25,26)22(2)3/h4-11,13,15H,12,14H2,1-3H3/b21-20-
InChIKeyTZBWXSVZBBBHPS-MRCUWXFGSA-N
XLogP3.13
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[2-(2-methoxyphenoxy)acetyl]-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 42907314
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
N,N-dimethyl-3-[[5-methyl-3-[4-(3-methylphenoxy)butanoyl]-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 4241065
3-[[3-(4-methoxy-3-nitrobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3293753
[(5R)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 8895471
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide (CID 3478045) is N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide is CC1CN(C(=O)Cc2ccccc2)/C(=N/c2cccc(S(=O)(=O)N(C)C)c2)S1.
What is the InChIKey of N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
The InChIKey is TZBWXSVZBBBHPS-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-15-14-23(19(24)12-16-8-5-4-6-9-16)20(27-15)21-17-10-7-11-18(13-17)28(25,26)22(2)3/h4-11,13,15H,12,14H2,1-3H3/b21-20-.
What are the key properties of N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide?
N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide has a molecular weight of 417.56 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-methyl-3-(2-phenylacetyl)-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 3478045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).