4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate

C136H143Cl4N15O38S14 — CID 158525162

About 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate

4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate (PubChem CID 158525162) has the molecular formula C136H143Cl4N15O38S14 and a molecular weight of 3186.46 g/mol. Its IUPAC name is 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate.

Molecular Properties

• Compound Name: 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate
• PubChem CID: 158525162
• Molecular Formula: C136H143Cl4N15O38S14
• Molecular Weight: 3186.46 g/mol
• Exact Mass: 3181.46
• IUPAC Name: 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate
• SMILES: O=C(CCSc1nc2ccccc2o1)Oc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4cc(Cl)ccc4s3)cc2)CCN(C2CC2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4cc(Cl)ccc4s3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4ccc(Cl)cc4o3)cc2)CCN(C2CC2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4ccc(Cl)cc4o3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4ccccc4o3)cc2)CCOCC1
• InChI: InChI=1S/C25H27N3O7S2.C24H26ClN3O6S2.C24H26ClN3O5S3.C21H21ClN2O7S2.C21H21ClN2O6S3.C21H22N2O7S2/c29-22(11-16-36-24-26-20-3-1-2-4-21(20)35-24)34-18-7-9-19(10-8-18)37(32,33)25(23(30)27-31)12-14-28(15-13-25)17-5-6-17;25-16-1-8-20-21(15-16)34-23(26-20)35-14-13-33-18-4-6-19(7-5-18)36(31,32)24(22(29)27-30)9-11-28(12-10-24)17-2-3-17;25-16-1-8-21-20(15-16)26-23(35-21)34-14-13-33-18-4-6-19(7-5-18)36(31,32)24(22(29)27-30)9-11-28(12-10-24)17-2-3-17;22-14-1-6-17-18(13-14)31-20(23-17)32-12-11-30-15-2-4-16(5-3-15)33(27,28)21(19(25)24-26)7-9-29-10-8-21;22-14-1-6-18-17(13-14)23-20(32-18)31-12-11-30-15-2-4-16(5-3-15)33(27,28)21(19(25)24-26)7-9-29-10-8-21;24-19(23-25)21(9-11-28-12-10-21)32(26,27)16-7-5-15(6-8-16)29-13-14-31-20-22-17-3-1-2-4-18(17)30-20/h1-4,7-10,17,31H,5-6,11-16H2,(H,27,30);2*1,4-8,15,17,30H,2-3,9-14H2,(H,27,29);2*1-6,13,26H,7-12H2,(H,24,25);1-8,25H,9-14H2,(H,23,24)
• InChIKey: HMRVMUKNFOHURM-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 740.58 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 55
• Rotatable Bonds: 51
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3186.46
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?

The IUPAC name of 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate (CID 158525162) is 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate.

What is the SMILES notation for 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?

The canonical SMILES for 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate is O=C(CCSc1nc2ccccc2o1)Oc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4cc(Cl)ccc4s3)cc2)CCN(C2CC2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4cc(Cl)ccc4s3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4ccc(Cl)cc4o3)cc2)CCN(C2CC2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4ccc(Cl)cc4o3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(OCCSc3nc4ccccc4o3)cc2)CCOCC1.

What is the InChIKey of 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?

The InChIKey is HMRVMUKNFOHURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7S2.C24H26ClN3O6S2.C24H26ClN3O5S3.C21H21ClN2O7S2.C21H21ClN2O6S3.C21H22N2O7S2/c29-22(11-16-36-24-26-20-3-1-2-4-21(20)35-24)34-18-7-9-19(10-8-18)37(32,33)25(23(30)27-31)12-14-28(15-13-25)17-5-6-17;25-16-1-8-20-21(15-16)34-23(26-20)35-14-13-33-18-4-6-19(7-5-18)36(31,32)24(22(29)27-30)9-11-28(12-10-24)17-2-3-17;25-16-1-8-21-20(15-16)26-23(35-21)34-14-13-33-18-4-6-19(7-5-18)36(31,32)24(22(29)27-30)9-11-28(12-10-24)17-2-3-17;22-14-1-6-17-18(13-14)31-20(23-17)32-12-11-30-15-2-4-16(5-3-15)33(27,28)21(19(25)24-26)7-9-29-10-8-21;22-14-1-6-18-17(13-14)23-20(32-18)31-12-11-30-15-2-4-16(5-3-15)33(27,28)21(19(25)24-26)7-9-29-10-8-21;24-19(23-25)21(9-11-28-12-10-21)32(26,27)16-7-5-15(6-8-16)29-13-14-31-20-22-17-3-1-2-4-18(17)30-20/h1-4,7-10,17,31H,5-6,11-16H2,(H,27,30);2*1,4-8,15,17,30H,2-3,9-14H2,(H,27,29);2*1-6,13,26H,7-12H2,(H,24,25);1-8,25H,9-14H2,(H,23,24).

What are the key properties of 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?

4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate has a molecular weight of 3186.46 g/mol, XLogP of 21.77, 51 rotatable bonds, 12 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl] 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate is sourced from PubChem (CID 158525162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).