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

C17H21N3O3S2 — CID 55966889

IUPACN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-13(2)20-25(22,23)16-8-6-14(7-9-16)19-17(21)12-24-11-15-5-3-4-10-18-15/h3-10,13,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyPJKNLLFJRYHGPD-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.64
Rot. Bonds8

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

N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 55966889) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID55966889
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-13(2)20-25(22,23)16-8-6-14(7-9-16)19-17(21)12-24-11-15-5-3-4-10-18-15/h3-10,13,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyPJKNLLFJRYHGPD-UHFFFAOYSA-N
XLogP2.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219362
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55929746
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
2-(2-oxo-1-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 8623717
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341
N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 119438197
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701436

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 55966889) is N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccccn2)cc1.
What is the InChIKey of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is PJKNLLFJRYHGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-13(2)20-25(22,23)16-8-6-14(7-9-16)19-17(21)12-24-11-15-5-3-4-10-18-15/h3-10,13,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55966889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).