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

C24H21N3O4S2 — CID 29282406

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H21N3O4S2/c1-31-22-13-6-5-12-21(22)27-33(29,30)20-11-7-10-18(14-20)25-23(28)15-19-16-32-24(26-19)17-8-3-2-4-9-17/h2-14,16,27H,15H2,1H3,(H,25,28)
InChIKeyBFNYIWRRRQYRRT-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.80
Rot. Bonds8

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

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29282406) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID29282406
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H21N3O4S2/c1-31-22-13-6-5-12-21(22)27-33(29,30)20-11-7-10-18(14-20)25-23(28)15-19-16-32-24(26-19)17-8-3-2-4-9-17/h2-14,16,27H,15H2,1H3,(H,25,28)
InChIKeyBFNYIWRRRQYRRT-UHFFFAOYSA-N
XLogP4.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 29282406) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BFNYIWRRRQYRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-31-22-13-6-5-12-21(22)27-33(29,30)20-11-7-10-18(14-20)25-23(28)15-19-16-32-24(26-19)17-8-3-2-4-9-17/h2-14,16,27H,15H2,1H3,(H,25,28).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 479.58 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29282406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).