N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C21H22N2O4S — CID 1314065

IUPACN-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-15(2)23-28(25,26)18-12-10-17(11-13-18)27-14-21(24)22-20-9-5-7-16-6-3-4-8-19(16)20/h3-13,15,23H,14H2,1-2H3,(H,22,24)
InChIKeyMOPMBAXGUCUDMT-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.54
Rot. Bonds7

About N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 1314065) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID1314065
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-15(2)23-28(25,26)18-12-10-17(11-13-18)27-14-21(24)22-20-9-5-7-16-6-3-4-8-19(16)20/h3-13,15,23H,14H2,1-2H3,(H,22,24)
InChIKeyMOPMBAXGUCUDMT-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 1314065) is N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is MOPMBAXGUCUDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15(2)23-28(25,26)18-12-10-17(11-13-18)27-14-21(24)22-20-9-5-7-16-6-3-4-8-19(16)20/h3-13,15,23H,14H2,1-2H3,(H,22,24).
What are the key properties of N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1314065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).