4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide

C116H137F9N14O20S6 — CID 160510783

About 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide

4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide (PubChem CID 160510783) has the molecular formula C116H137F9N14O20S6 and a molecular weight of 2410.83 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide.

Molecular Properties

• Compound Name: 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
• PubChem CID: 160510783
• Molecular Formula: C116H137F9N14O20S6
• Molecular Weight: 2410.83 g/mol
• Exact Mass: 2408.83
• IUPAC Name: 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
• SMILES: CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1.C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2F)C[C@H](C)O1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1N1C[C@@H](C)O[C@@H](C)C1
• InChI: InChI=1S/C24H33N3O4S.C23H30FN3O4S.C18H19F3N2O3S.C17H17F3N2O3S.2C17H19FN2O3S/c1-16-13-21(11-12-22(16)27-14-17(2)31-18(3)15-27)25-23(28)19-7-9-20(10-8-19)26-32(29,30)24(4,5)6;1-15-13-27(14-16(2)31-15)21-11-10-19(12-20(21)24)25-22(28)17-6-8-18(9-7-17)26-32(29,30)23(3,4)5;1-17(2,3)27(25,26)23-13-10-8-12(9-11-13)16(24)22-15-7-5-4-6-14(15)18(19,20)21;1-17(2,3)26(24,25)22-12-6-4-10(5-7-12)16(23)21-15-13(19)8-11(18)9-14(15)20;1-17(2,3)24(22,23)20-14-9-7-12(8-10-14)16(21)19-15-6-4-5-13(18)11-15;1-17(2,3)24(22,23)20-13-10-8-12(9-11-13)16(21)19-15-7-5-4-6-14(15)18/h7-13,17-18,26H,14-15H2,1-6H3,(H,25,28);6-12,15-16,26H,13-14H2,1-5H3,(H,25,28);4-11,23H,1-3H3,(H,22,24);4-9,22H,1-3H3,(H,21,23);2*4-11,20H,1-3H3,(H,19,21)/t17-,18+;15-,16+
• InChIKey: QTABPRFTMGGLEU-KMZAXFGISA-N
• XLogP: 24.26
• TPSA: 476.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.83
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?

The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide (CID 160510783) is 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide.

What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?

The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1.C[C@@H]1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2F)C[C@H](C)O1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1N1C[C@@H](C)O[C@@H](C)C1.

What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?

The InChIKey is QTABPRFTMGGLEU-KMZAXFGISA-N. The full InChI is InChI=1S/C24H33N3O4S.C23H30FN3O4S.C18H19F3N2O3S.C17H17F3N2O3S.2C17H19FN2O3S/c1-16-13-21(11-12-22(16)27-14-17(2)31-18(3)15-27)25-23(28)19-7-9-20(10-8-19)26-32(29,30)24(4,5)6;1-15-13-27(14-16(2)31-15)21-11-10-19(12-20(21)24)25-22(28)17-6-8-18(9-7-17)26-32(29,30)23(3,4)5;1-17(2,3)27(25,26)23-13-10-8-12(9-11-13)16(24)22-15-7-5-4-6-14(15)18(19,20)21;1-17(2,3)26(24,25)22-12-6-4-10(5-7-12)16(23)21-15-13(19)8-11(18)9-14(15)20;1-17(2,3)24(22,23)20-14-9-7-12(8-10-14)16(21)19-15-6-4-5-13(18)11-15;1-17(2,3)24(22,23)20-13-10-8-12(9-11-13)16(21)19-15-7-5-4-6-14(15)18/h7-13,17-18,26H,14-15H2,1-6H3,(H,25,28);6-12,15-16,26H,13-14H2,1-5H3,(H,25,28);4-11,23H,1-3H3,(H,22,24);4-9,22H,1-3H3,(H,21,23);2*4-11,20H,1-3H3,(H,19,21)/t17-,18+;15-,16+;;;;.

What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide?

4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide has a molecular weight of 2410.83 g/mol, XLogP of 24.26, 26 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide is sourced from PubChem (CID 160510783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).