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

C18H17N3O4S2 — CID 1130098

IUPAC2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-25-15-6-2-13(3-7-15)12-17(22)20-14-4-8-16(9-5-14)27(23,24)21-18-19-10-11-26-18/h2-11H,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyIJCINSUMZHEUDO-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.13
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1130098) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1130098
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-25-15-6-2-13(3-7-15)12-17(22)20-14-4-8-16(9-5-14)27(23,24)21-18-19-10-11-26-18/h2-11H,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyIJCINSUMZHEUDO-UHFFFAOYSA-N
XLogP3.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 1130098) is 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is IJCINSUMZHEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-25-15-6-2-13(3-7-15)12-17(22)20-14-4-8-16(9-5-14)27(23,24)21-18-19-10-11-26-18/h2-11H,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1130098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).