2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C22H16N4O4S2 — CID 1306809

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H16N4O4S2/c27-19(13-26-18-6-2-4-14-3-1-5-17(20(14)18)21(26)28)24-15-7-9-16(10-8-15)32(29,30)25-22-23-11-12-31-22/h1-12H,13H2,(H,23,25)(H,24,27)
InChIKeyCWSLSXKXNPVYDH-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.70
Rot. Bonds6

About 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1306809) has the molecular formula C22H16N4O4S2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1306809
Molecular FormulaC22H16N4O4S2
Molecular Weight464.53 g/mol
Exact Mass464.06
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H16N4O4S2/c27-19(13-26-18-6-2-4-14-3-1-5-17(20(14)18)21(26)28)24-15-7-9-16(10-8-15)32(29,30)25-22-23-11-12-31-22/h1-12H,13H2,(H,23,25)(H,24,27)
InChIKeyCWSLSXKXNPVYDH-UHFFFAOYSA-N
XLogP3.70
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 1306809) is 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CWSLSXKXNPVYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4S2/c27-19(13-26-18-6-2-4-14-3-1-5-17(20(14)18)21(26)28)24-15-7-9-16(10-8-15)32(29,30)25-22-23-11-12-31-22/h1-12H,13H2,(H,23,25)(H,24,27).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 464.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1306809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).