(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate

C23H19N3O4S2 — CID 25044147

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O4S2/c27-22(30-15-20-16-31-23(25-20)24-18-7-3-1-4-8-18)17-11-13-21(14-12-17)32(28,29)26-19-9-5-2-6-10-19/h1-14,16,26H,15H2,(H,24,25)
InChIKeyKJQHFOMYWPPNOV-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.04
Rot. Bonds8

About (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate

(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate (PubChem CID 25044147) has the molecular formula C23H19N3O4S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate
PubChem CID25044147
Molecular FormulaC23H19N3O4S2
Molecular Weight465.56 g/mol
Exact Mass465.08
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O4S2/c27-22(30-15-20-16-31-23(25-20)24-18-7-3-1-4-8-18)17-11-13-21(14-12-17)32(28,29)26-19-9-5-2-6-10-19/h1-14,16,26H,15H2,(H,24,25)
InChIKeyKJQHFOMYWPPNOV-UHFFFAOYSA-N
XLogP5.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25047830
(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate
CID 2097661
(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 25045576
2-O-[(2-anilino-1,3-thiazol-4-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505350
(2-anilino-1,3-thiazol-4-yl)methyl 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 25045126
(2-anilino-1,3-thiazol-4-yl)methyl 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 25039579
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(hydroxymethyl)benzoate
CID 7990685
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 55356799
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7378421
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7966447
(2-anilino-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 23734568
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate (CID 25044147) is (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate is O=C(OCc1csc(Nc2ccccc2)n1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate?
The InChIKey is KJQHFOMYWPPNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S2/c27-22(30-15-20-16-31-23(25-20)24-18-7-3-1-4-8-18)17-11-13-21(14-12-17)32(28,29)26-19-9-5-2-6-10-19/h1-14,16,26H,15H2,(H,24,25).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate?
(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate has a molecular weight of 465.56 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 25044147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).