N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C15H21N3O4S2 — CID 27162002

IUPACN-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C15H21N3O4S2/c1-11(2)17(3)24(21,22)13-6-4-12(5-7-13)16-14(19)10-18-8-9-23-15(18)20/h4-7,11H,8-10H2,1-3H3,(H,16,19)
InChIKeyOIAUDWUXWFZJNG-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.82
Rot. Bonds6

About N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 27162002) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID27162002
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC NameN-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C15H21N3O4S2/c1-11(2)17(3)24(21,22)13-6-4-12(5-7-13)16-14(19)10-18-8-9-23-15(18)20/h4-7,11H,8-10H2,1-3H3,(H,16,19)
InChIKeyOIAUDWUXWFZJNG-UHFFFAOYSA-N
XLogP1.82
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.82
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-[4-(dimethylsulfamoyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093524
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 39995775
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 55627178
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9328678
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 35807274
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26369597
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 18146222

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 27162002) is N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCSC2=O)cc1.
What is the InChIKey of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is OIAUDWUXWFZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-11(2)17(3)24(21,22)13-6-4-12(5-7-13)16-14(19)10-18-8-9-23-15(18)20/h4-7,11H,8-10H2,1-3H3,(H,16,19).
What are the key properties of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 27162002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).