2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C18H16N4O3S2 — CID 2096767

IUPAC2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H16N4O3S2/c23-17(13-26-15-5-2-1-3-6-15)21-14-7-9-16(10-8-14)27(24,25)22-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,23)(H,19,20,22)
InChIKeyWKVNBFMXHPLXSG-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.01
Rot. Bonds7

About 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2096767) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2096767
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H16N4O3S2/c23-17(13-26-15-5-2-1-3-6-15)21-14-7-9-16(10-8-14)27(24,25)22-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,23)(H,19,20,22)
InChIKeyWKVNBFMXHPLXSG-UHFFFAOYSA-N
XLogP3.01
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 2096767) is 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is WKVNBFMXHPLXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-17(13-26-15-5-2-1-3-6-15)21-14-7-9-16(10-8-14)27(24,25)22-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 400.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2096767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).