N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide

C15H17N3O3S2 — CID 2267185

IUPACN-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S2/c1-12(19)18-13-5-7-14(8-6-13)23(20,21)17-10-11-22-15-4-2-3-9-16-15/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyJIQPPVAPGMVEDB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.11
Rot. Bonds7

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

N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide (PubChem CID 2267185) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide
PubChem CID2267185
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S2/c1-12(19)18-13-5-7-14(8-6-13)23(20,21)17-10-11-22-15-4-2-3-9-16-15/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyJIQPPVAPGMVEDB-UHFFFAOYSA-N
XLogP2.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide (CID 2267185) is N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1.
What is the InChIKey of N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide?
The InChIKey is JIQPPVAPGMVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-12(19)18-13-5-7-14(8-6-13)23(20,21)17-10-11-22-15-4-2-3-9-16-15/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide?
N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-2-ylsulfanylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2267185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).