bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

C113H99FN14O25S14 — CID 160789744

About bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate

bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (PubChem CID 160789744) has the molecular formula C113H99FN14O25S14 and a molecular weight of 2521.04 g/mol. Its IUPAC name is bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• PubChem CID: 160789744
• Molecular Formula: C113H99FN14O25S14
• Molecular Weight: 2521.04 g/mol
• Exact Mass: 2518.30
• IUPAC Name: bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccc(C)cc1C(=O)Nc1ncc(S(C)=O)s1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)c2ccccc2)s1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)c2ccccc2)s1.CC(C)C(=O)Oc1ccc(F)cc1C(=O)Nc1ncc(S(C)=O)s1.O=C(Nc1ncc(S(=O)C2CCCCC2)s1)c1ccccc1O.O=C(Nc1ncc(S(=O)c2ccccc2)s1)c1ccccc1O.O=C(Nc1ncc(S(=O)c2ccccc2)s1)c1ccccc1O
• InChI: InChI=1S/2C18H14N2O4S2.C16H18N2O3S2.2C16H12N2O3S2.C15H15FN2O4S2.C14H14N2O4S2/c2*1-12(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;3*19-13-9-5-4-8-12(13)15(20)18-16-17-10-14(22-16)23(21)11-6-2-1-3-7-11;1-8(2)14(20)22-11-5-4-9(16)6-10(11)13(19)18-15-17-7-12(23-15)24(3)21;1-8-4-5-11(20-9(2)17)10(6-8)13(18)16-14-15-7-12(21-14)22(3)19/h2*2-11H,1H3,(H,19,20,22);4-5,8-11,19H,1-3,6-7H2,(H,17,18,20);2*1-10,19H,(H,17,18,20);4-8H,1-3H3,(H,17,18,19);4-7H,1-3H3,(H,15,16,18)
• InChIKey: SBRIPWBAPGDQDT-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 579.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.04
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The IUPAC name of bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate (CID 160789744) is bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate.

What is the SMILES notation for bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The canonical SMILES for bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C)cc1C(=O)Nc1ncc(S(C)=O)s1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)c2ccccc2)s1.CC(=O)Oc1ccccc1C(=O)Nc1ncc(S(=O)c2ccccc2)s1.CC(C)C(=O)Oc1ccc(F)cc1C(=O)Nc1ncc(S(C)=O)s1.O=C(Nc1ncc(S(=O)C2CCCCC2)s1)c1ccccc1O.O=C(Nc1ncc(S(=O)c2ccccc2)s1)c1ccccc1O.O=C(Nc1ncc(S(=O)c2ccccc2)s1)c1ccccc1O.

What is the InChIKey of bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

The InChIKey is SBRIPWBAPGDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N2O4S2.C16H18N2O3S2.2C16H12N2O3S2.C15H15FN2O4S2.C14H14N2O4S2/c2*1-12(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;3*19-13-9-5-4-8-12(13)15(20)18-16-17-10-14(22-16)23(21)11-6-2-1-3-7-11;1-8(2)14(20)22-11-5-4-9(16)6-10(11)13(19)18-15-17-7-12(23-15)24(3)21;1-8-4-5-11(20-9(2)17)10(6-8)13(18)16-14-15-7-12(21-14)22(3)19/h2*2-11H,1H3,(H,19,20,22);4-5,8-11,19H,1-3,6-7H2,(H,17,18,20);2*1-10,19H,(H,17,18,20);4-8H,1-3H3,(H,17,18,19);4-7H,1-3H3,(H,15,16,18).

What are the key properties of bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate?

bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate has a molecular weight of 2521.04 g/mol, XLogP of 22.25, 31 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-[[5-(benzenesulfinyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate);bis(N-[5-(benzenesulfinyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide);N-(5-cyclohexylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;[4-fluoro-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylpropanoate;[4-methyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 160789744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).