N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C14H19N3O4S2 — CID 18140563

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CN1CCSC1=O
InChIInChI=1S/C14H19N3O4S2/c1-16(2)23(20,21)12-6-4-3-5-11(12)9-15-13(18)10-17-7-8-22-14(17)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyJDTYSXYTBYLRMJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.72
Rot. Bonds6

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 18140563) has the molecular formula C14H19N3O4S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID18140563
Molecular FormulaC14H19N3O4S2
Molecular Weight357.46 g/mol
Exact Mass357.08
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CN1CCSC1=O
InChIInChI=1S/C14H19N3O4S2/c1-16(2)23(20,21)12-6-4-3-5-11(12)9-15-13(18)10-17-7-8-22-14(17)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyJDTYSXYTBYLRMJ-UHFFFAOYSA-N
XLogP0.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 26060361
2-(2,6-dimethylmorpholin-4-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 47020357
2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 46472171
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55523655
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 29455899
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 18140563) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)CN1CCSC1=O.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is JDTYSXYTBYLRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S2/c1-16(2)23(20,21)12-6-4-3-5-11(12)9-15-13(18)10-17-7-8-22-14(17)19/h3-6H,7-10H2,1-2H3,(H,15,18).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 18140563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).