2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide

C23H19N3O4S2 — CID 122286502

IUPAC2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1C(N)=O
InChIInChI=1S/C23H19N3O4S2/c1-30-21-12-11-18(13-19(21)22(24)27)32(28,29)26-17-9-7-15(8-10-17)20-14-31-23(25-20)16-5-3-2-4-6-16/h2-14,26H,1H3,(H2,24,27)
InChIKeyFQPQFETYWGSQKG-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.39
Rot. Bonds7

About 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide

2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide (PubChem CID 122286502) has the molecular formula C23H19N3O4S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
PubChem CID122286502
Molecular FormulaC23H19N3O4S2
Molecular Weight465.56 g/mol
Exact Mass465.08
IUPAC Name2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1C(N)=O
InChIInChI=1S/C23H19N3O4S2/c1-30-21-12-11-18(13-19(21)22(24)27)32(28,29)26-17-9-7-15(8-10-17)20-14-31-23(25-20)16-5-3-2-4-6-16/h2-14,26H,1H3,(H2,24,27)
InChIKeyFQPQFETYWGSQKG-UHFFFAOYSA-N
XLogP4.39
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784254
4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16803056
2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
CID 146021640
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 122286500
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
5-[(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)sulfamoyl]-2-methoxybenzamide
CID 122323270
2-methoxy-5-[[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]sulfamoyl]benzamide
CID 122285031

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide (CID 122286502) is 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide?
The InChIKey is FQPQFETYWGSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S2/c1-30-21-12-11-18(13-19(21)22(24)27)32(28,29)26-17-9-7-15(8-10-17)20-14-31-23(25-20)16-5-3-2-4-6-16/h2-14,26H,1H3,(H2,24,27).
What are the key properties of 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide?
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide has a molecular weight of 465.56 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 122286502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).