sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C113H119N16NaO28S16 — CID 158354907

About sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 158354907) has the molecular formula C113H119N16NaO28S16 and a molecular weight of 2685.34 g/mol. Its IUPAC name is sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• PubChem CID: 158354907
• Molecular Formula: C113H119N16NaO28S16
• Molecular Weight: 2685.34 g/mol
• Exact Mass: 2682.38
• IUPAC Name: sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)C(C)C)s1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)C2CCCCC2)s1.CC(C)S(=O)c1cnc(NC(=O)c2ccccc2O)s1.CCCCS(=O)c1cnc(NC(=O)c2ccccc2O)s1.CCCCS(=O)c1cnc(NC(=O)c2ccccc2OC(C)=O)s1.CCS(=O)c1cnc(NC(=O)c2ccccc2O)s1.CCS(=O)c1cnc(NC(=O)c2ccccc2OC(C)=O)s1.CS(=O)c1cnc(NC(=O)c2ccccc2[O-])s1.[Na+]
• InChI: InChI=1S/C18H20N2O4S2.C16H18N2O4S2.C15H16N2O4S2.C14H14N2O4S2.C14H16N2O3S2.C13H14N2O3S2.C12H12N2O3S2.C11H10N2O3S2.Na/c1-12(21)24-15-10-6-5-9-14(15)17(22)20-18-19-11-16(25-18)26(23)13-7-3-2-4-8-13;1-3-4-9-24(21)14-10-17-16(23-14)18-15(20)12-7-5-6-8-13(12)22-11(2)19;1-9(2)23(20)13-8-16-15(22-13)17-14(19)11-6-4-5-7-12(11)21-10(3)18;1-3-22(19)12-8-15-14(21-12)16-13(18)10-6-4-5-7-11(10)20-9(2)17;1-2-3-8-21(19)12-9-15-14(20-12)16-13(18)10-6-4-5-7-11(10)17;1-8(2)20(18)11-7-14-13(19-11)15-12(17)9-5-3-4-6-10(9)16;1-2-19(17)10-7-13-12(18-10)14-11(16)8-5-3-4-6-9(8)15;1-18(16)9-6-12-11(17-9)13-10(15)7-4-2-3-5-8(7)14;/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,22);5-8,10H,3-4,9H2,1-2H3,(H,17,18,20);4-9H,1-3H3,(H,16,17,19);4-8H,3H2,1-2H3,(H,15,16,18);4-7,9,17H,2-3,8H2,1H3,(H,15,16,18);3-8,16H,1-2H3,(H,14,15,17);3-7,15H,2H2,1H3,(H,13,14,16);2-6,14H,1H3,(H,12,13,15);/q;;;;;;;;+1/p-1
• InChIKey: CYAYVVDINVMTQF-UHFFFAOYSA-M
• XLogP: 18.34
• TPSA: 661.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 39
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2685.34
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The IUPAC name of sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 158354907) is sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

What is the SMILES notation for sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The canonical SMILES for sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)C(C)C)s1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)C2CCCCC2)s1.CC(C)S(=O)c1cnc(NC(=O)c2ccccc2O)s1.CCCCS(=O)c1cnc(NC(=O)c2ccccc2O)s1.CCCCS(=O)c1cnc(NC(=O)c2ccccc2OC(C)=O)s1.CCS(=O)c1cnc(NC(=O)c2ccccc2O)s1.CCS(=O)c1cnc(NC(=O)c2ccccc2OC(C)=O)s1.CS(=O)c1cnc(NC(=O)c2ccccc2[O-])s1.[Na+].

What is the InChIKey of sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The InChIKey is CYAYVVDINVMTQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20N2O4S2.C16H18N2O4S2.C15H16N2O4S2.C14H14N2O4S2.C14H16N2O3S2.C13H14N2O3S2.C12H12N2O3S2.C11H10N2O3S2.Na/c1-12(21)24-15-10-6-5-9-14(15)17(22)20-18-19-11-16(25-18)26(23)13-7-3-2-4-8-13;1-3-4-9-24(21)14-10-17-16(23-14)18-15(20)12-7-5-6-8-13(12)22-11(2)19;1-9(2)23(20)13-8-16-15(22-13)17-14(19)11-6-4-5-7-12(11)21-10(3)18;1-3-22(19)12-8-15-14(21-12)16-13(18)10-6-4-5-7-11(10)20-9(2)17;1-2-3-8-21(19)12-9-15-14(20-12)16-13(18)10-6-4-5-7-11(10)17;1-8(2)20(18)11-7-14-13(19-11)15-12(17)9-5-3-4-6-10(9)16;1-2-19(17)10-7-13-12(18-10)14-11(16)8-5-3-4-6-9(8)15;1-18(16)9-6-12-11(17-9)13-10(15)7-4-2-3-5-8(7)14;/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,22);5-8,10H,3-4,9H2,1-2H3,(H,17,18,20);4-9H,1-3H3,(H,16,17,19);4-8H,3H2,1-2H3,(H,15,16,18);4-7,9,17H,2-3,8H2,1H3,(H,15,16,18);3-8,16H,1-2H3,(H,14,15,17);3-7,15H,2H2,1H3,(H,13,14,16);2-6,14H,1H3,(H,12,13,15);/q;;;;;;;;+1/p-1.

What are the key properties of sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 2685.34 g/mol, XLogP of 18.34, 39 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[2-[(5-butylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-butylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[2-[(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(5-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-N-(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenolate;[2-[(5-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 158354907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).