2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C21H17N3O4S2 — CID 978473

IUPAC2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17N3O4S2/c25-20(14-28-18-8-5-15-3-1-2-4-16(15)13-18)23-17-6-9-19(10-7-17)30(26,27)24-21-22-11-12-29-21/h1-13H,14H2,(H,22,24)(H,23,25)
InChIKeyMTYHKSZQRUWPBN-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.11
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 978473) has the molecular formula C21H17N3O4S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID978473
Molecular FormulaC21H17N3O4S2
Molecular Weight439.52 g/mol
Exact Mass439.07
IUPAC Name2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17N3O4S2/c25-20(14-28-18-8-5-15-3-1-2-4-16(15)13-18)23-17-6-9-19(10-7-17)30(26,27)24-21-22-11-12-29-21/h1-13H,14H2,(H,22,24)(H,23,25)
InChIKeyMTYHKSZQRUWPBN-UHFFFAOYSA-N
XLogP4.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 978473) is 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is MTYHKSZQRUWPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S2/c25-20(14-28-18-8-5-15-3-1-2-4-16(15)13-18)23-17-6-9-19(10-7-17)30(26,27)24-21-22-11-12-29-21/h1-13H,14H2,(H,22,24)(H,23,25).
What are the key properties of 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 978473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).