2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C15H15N5O4S2 — CID 39995775

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1CCSC1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C15H15N5O4S2/c21-13(10-20-8-9-25-15(20)22)18-11-2-4-12(5-3-11)26(23,24)19-14-16-6-1-7-17-14/h1-7H,8-10H2,(H,18,21)(H,16,17,19)
InChIKeyYWNPYRTUGMUDAE-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.38
Rot. Bonds6

About 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 39995775) has the molecular formula C15H15N5O4S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID39995775
Molecular FormulaC15H15N5O4S2
Molecular Weight393.45 g/mol
Exact Mass393.06
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1CCSC1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C15H15N5O4S2/c21-13(10-20-8-9-25-15(20)22)18-11-2-4-12(5-3-11)26(23,24)19-14-16-6-1-7-17-14/h1-7H,8-10H2,(H,18,21)(H,16,17,19)
InChIKeyYWNPYRTUGMUDAE-UHFFFAOYSA-N
XLogP1.38
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 108794988
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 27162002
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19525155
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 25495028
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92676154
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 39995775) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(CN1CCSC1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is YWNPYRTUGMUDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S2/c21-13(10-20-8-9-25-15(20)22)18-11-2-4-12(5-3-11)26(23,24)19-14-16-6-1-7-17-14/h1-7H,8-10H2,(H,18,21)(H,16,17,19).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 39995775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).