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

C19H17N3O3S2 — CID 21232687

IUPAC2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H17N3O3S2/c23-19(14-26-16-6-2-1-3-7-16)21-15-9-11-17(12-10-15)27(24,25)22-18-8-4-5-13-20-18/h1-13H,14H2,(H,20,22)(H,21,23)
InChIKeyUQHZDMDBHAGRQG-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.61
Rot. Bonds7

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

2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 21232687) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID21232687
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H17N3O3S2/c23-19(14-26-16-6-2-1-3-7-16)21-15-9-11-17(12-10-15)27(24,25)22-18-8-4-5-13-20-18/h1-13H,14H2,(H,20,22)(H,21,23)
InChIKeyUQHZDMDBHAGRQG-UHFFFAOYSA-N
XLogP3.61
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25045368
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 21232687) is 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is UQHZDMDBHAGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-19(14-26-16-6-2-1-3-7-16)21-15-9-11-17(12-10-15)27(24,25)22-18-8-4-5-13-20-18/h1-13H,14H2,(H,20,22)(H,21,23).
What are the key properties of 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 21232687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).