2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C20H19N3O3S2 — CID 25039698

IUPAC2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C20H19N3O3S2/c24-20(15-27-14-16-6-2-1-3-7-16)22-17-9-11-18(12-10-17)28(25,26)23-19-8-4-5-13-21-19/h1-13H,14-15H2,(H,21,23)(H,22,24)
InChIKeyFCRIRLKGJZICFP-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.75
Rot. Bonds8

About 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 25039698) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID25039698
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C20H19N3O3S2/c24-20(15-27-14-16-6-2-1-3-7-16)22-17-9-11-18(12-10-17)28(25,26)23-19-8-4-5-13-21-19/h1-13H,14-15H2,(H,21,23)(H,22,24)
InChIKeyFCRIRLKGJZICFP-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 21232687
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 30396729
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889
2-benzylsulfanyl-N-phenylacetamide
CID 584914
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 25039698) is 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is FCRIRLKGJZICFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-20(15-27-14-16-6-2-1-3-7-16)22-17-9-11-18(12-10-17)28(25,26)23-19-8-4-5-13-21-19/h1-13H,14-15H2,(H,21,23)(H,22,24).
What are the key properties of 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 25039698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).