N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C17H20N4O4S3 — CID 55763498

IUPACN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1
InChIInChI=1S/C17H20N4O4S3/c1-20(2)28(24,25)13-5-3-12(4-6-13)14-11-27-16(18-14)19-15(22)7-8-21-9-10-26-17(21)23/h3-6,11H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyQJFRLHRQUJUGOM-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.56
Rot. Bonds7

About N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 55763498) has the molecular formula C17H20N4O4S3 and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID55763498
Molecular FormulaC17H20N4O4S3
Molecular Weight440.57 g/mol
Exact Mass440.06
IUPAC NameN-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1
InChIInChI=1S/C17H20N4O4S3/c1-20(2)28(24,25)13-5-3-12(4-6-13)14-11-27-16(18-14)19-15(22)7-8-21-9-10-26-17(21)23/h3-6,11H,7-10H2,1-2H3,(H,18,19,22)
InChIKeyQJFRLHRQUJUGOM-UHFFFAOYSA-N
XLogP2.56
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55429757
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
2-(2-chlorophenyl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55661964
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935
2,2-dichloro-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 78868548
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17420361
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
CID 51531479
2-(2,3-dihydro-1H-inden-1-yl)-N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86955534
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 55763498) is N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1.
What is the InChIKey of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is QJFRLHRQUJUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S3/c1-20(2)28(24,25)13-5-3-12(4-6-13)14-11-27-16(18-14)19-15(22)7-8-21-9-10-26-17(21)23/h3-6,11H,7-10H2,1-2H3,(H,18,19,22).
What are the key properties of N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 440.57 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 55763498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).