(2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid

C92H90F12N8O18S3 — CID 160643960

About (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid

(2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 160643960) has the molecular formula C92H90F12N8O18S3 and a molecular weight of 1919.95 g/mol. Its IUPAC name is (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

• Compound Name: (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid
• PubChem CID: 160643960
• Molecular Formula: C92H90F12N8O18S3
• Molecular Weight: 1919.95 g/mol
• Exact Mass: 1918.53
• IUPAC Name: (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid
• SMILES: Cc1c(F)c(F)c(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)NO)c(O)c2)c1F.Cc1c(F)c(F)c(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)c1F.Cc1c(F)c(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)nc2)c2ccc(C(=O)O)c(O)c2)c(F)c1F
• InChI: InChI=1S/C31H31F4N3O6S.C31H30F4N2O6S.C30H29F4N3O6S/c1-17-25(32)27(34)28(35)29(26(17)33)45(43,44)38-14-13-23(38)31(41)37(21-11-12-22(24(39)15-21)30(40)36-42)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19;1-17-25(32)27(34)28(35)29(26(17)33)44(42,43)37-14-13-23(37)30(39)36(21-11-12-22(31(40)41)24(38)15-21)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19;1-16-24(31)26(33)28(27(34)25(16)32)44(42,43)37-12-11-22(37)29(39)36(19-8-9-20(30(40)41)23(38)13-19)15-17-7-10-21(35-14-17)18-5-3-2-4-6-18/h7-12,15,19,23,39,42H,2-6,13-14,16H2,1H3,(H,36,40);7-12,15,19,23,38H,2-6,13-14,16H2,1H3,(H,40,41);7-10,13-14,18,22,38H,2-6,11-12,15H2,1H3,(H,40,41)/t2*23-;22-/m111/s1
• InChIKey: RJNRGAHRLNZQNQ-VGJFPNGESA-N
• XLogP: 16.81
• TPSA: 370.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1919.95
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid?

The IUPAC name of (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid (CID 160643960) is (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid.

What is the SMILES notation for (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid?

The canonical SMILES for (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid is Cc1c(F)c(F)c(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)NO)c(O)c2)c1F.Cc1c(F)c(F)c(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)c1F.Cc1c(F)c(F)c(S(=O)(=O)N2CC[C@@H]2C(=O)N(Cc2ccc(C3CCCCC3)nc2)c2ccc(C(=O)O)c(O)c2)c(F)c1F.

What is the InChIKey of (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid?

The InChIKey is RJNRGAHRLNZQNQ-VGJFPNGESA-N. The full InChI is InChI=1S/C31H31F4N3O6S.C31H30F4N2O6S.C30H29F4N3O6S/c1-17-25(32)27(34)28(35)29(26(17)33)45(43,44)38-14-13-23(38)31(41)37(21-11-12-22(24(39)15-21)30(40)36-42)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19;1-17-25(32)27(34)28(35)29(26(17)33)44(42,43)37-14-13-23(37)30(39)36(21-11-12-22(31(40)41)24(38)15-21)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19;1-16-24(31)26(33)28(27(34)25(16)32)44(42,43)37-12-11-22(37)29(39)36(19-8-9-20(30(40)41)23(38)13-19)15-17-7-10-21(35-14-17)18-5-3-2-4-6-18/h7-12,15,19,23,39,42H,2-6,13-14,16H2,1H3,(H,36,40);7-12,15,19,23,38H,2-6,13-14,16H2,1H3,(H,40,41);7-10,13-14,18,22,38H,2-6,11-12,15H2,1H3,(H,40,41)/t2*23-;22-/m111/s1.

What are the key properties of (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid?

(2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid has a molecular weight of 1919.95 g/mol, XLogP of 16.81, 24 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carboxamide;4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,6-tetrafluoro-5-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid;4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 160643960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).