2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

C166H176F6N24O28S6 — CID 158298369

IUPAC2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C[C@@H]1C.CC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@@H]1CN(C(=O)OCCC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)O[C@@H]2CCCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)O[C@@H]2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2ccc(F)c(F)c2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C30H36N4O5S.C29H27F3N4O3S.C28H25F3N4O3S.C27H30N4O6S.C26H28N4O6S.C26H30N4O5S/c1-22-21-33(30(36)39-20-16-23-7-3-2-4-8-23)18-19-34(22)29(35)25-12-14-26(15-13-25)32-40(37,38)27-11-5-9-24-10-6-17-31-28(24)27;1-18-17-35(19(2)26-23(30)12-13-24(31)27(26)32)15-16-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)25-7-3-5-20-6-4-14-33-28(20)25;1-18-16-34(17-21-9-12-23(29)26(31)25(21)30)14-15-35(18)28(36)20-7-10-22(11-8-20)33-39(37,38)24-6-2-4-19-5-3-13-32-27(19)24;1-19-17-30(27(33)37-23-7-4-16-36-18-23)14-15-31(19)26(32)21-9-11-22(12-10-21)29-38(34,35)24-8-2-5-20-6-3-13-28-25(20)24;1-18-16-29(26(32)36-22-11-15-35-17-22)13-14-30(18)25(31)20-7-9-21(10-8-20)28-37(33,34)23-6-2-4-19-5-3-12-27-24(19)23;1-17(2)35-26(32)30-18(3)15-29(16-19(30)4)25(31)21-10-12-22(13-11-21)28-36(33,34)23-9-5-7-20-8-6-14-27-24(20)23/h5-6,9-15,17,22-23,32H,2-4,7-8,16,18-21H2,1H3;3-14,18-19,34H,15-17H2,1-2H3;2-13,18,33H,14-17H2,1H3;2-3,5-6,8-13,19,23,29H,4,7,14-18H2,1H3;2-10,12,18,22,28H,11,13-17H2,1H3;5-14,17-19,28H,15-16H2,1-4H3/t22-;18-,19?;18-;19-,23-;18-,22-;18-,19+/m10011./s1
InChIKeyGMEQCBNXNKXDRZ-HTEJNPSZSA-N
MW3261.76 g/mol
LogP26.17
Rot. Bonds34

About 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (PubChem CID 158298369) has the molecular formula C166H176F6N24O28S6 and a molecular weight of 3261.76 g/mol. Its IUPAC name is 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
PubChem CID158298369
Molecular FormulaC166H176F6N24O28S6
Molecular Weight3261.76 g/mol
Exact Mass3259.13
IUPAC Name2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C[C@@H]1C.CC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@@H]1CN(C(=O)OCCC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)O[C@@H]2CCCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)O[C@@H]2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2ccc(F)c(F)c2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C30H36N4O5S.C29H27F3N4O3S.C28H25F3N4O3S.C27H30N4O6S.C26H28N4O6S.C26H30N4O5S/c1-22-21-33(30(36)39-20-16-23-7-3-2-4-8-23)18-19-34(22)29(35)25-12-14-26(15-13-25)32-40(37,38)27-11-5-9-24-10-6-17-31-28(24)27;1-18-17-35(19(2)26-23(30)12-13-24(31)27(26)32)15-16-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)25-7-3-5-20-6-4-14-33-28(20)25;1-18-16-34(17-21-9-12-23(29)26(31)25(21)30)14-15-35(18)28(36)20-7-10-22(11-8-20)33-39(37,38)24-6-2-4-19-5-3-13-32-27(19)24;1-19-17-30(27(33)37-23-7-4-16-36-18-23)14-15-31(19)26(32)21-9-11-22(12-10-21)29-38(34,35)24-8-2-5-20-6-3-13-28-25(20)24;1-18-16-29(26(32)36-22-11-15-35-17-22)13-14-30(18)25(31)20-7-9-21(10-8-20)28-37(33,34)23-6-2-4-19-5-3-12-27-24(19)23;1-17(2)35-26(32)30-18(3)15-29(16-19(30)4)25(31)21-10-12-22(13-11-21)28-36(33,34)23-9-5-7-20-8-6-14-27-24(20)23/h5-6,9-15,17,22-23,32H,2-4,7-8,16,18-21H2,1H3;3-14,18-19,34H,15-17H2,1-2H3;2-13,18,33H,14-17H2,1H3;2-3,5-6,8-13,19,23,29H,4,7,14-18H2,1H3;2-10,12,18,22,28H,11,13-17H2,1H3;5-14,17-19,28H,15-16H2,1-4H3/t22-;18-,19?;18-;19-,23-;18-,22-;18-,19+/m10011./s1
InChIKeyGMEQCBNXNKXDRZ-HTEJNPSZSA-N
XLogP26.17
TPSA619.32 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003261.76
LogP ≤ 526.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634750
N-[4-[(2R)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410817
N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410689
N-[4-[4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 76527192
N-[4-[(2R)-2-methyl-4-[2-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 70978677
oxolan-3-yl 4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634930
N-[4-[4-[[4-(1-cyclopentylpropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 129042687
N-[4-[4-[1-(3,4-difluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 134404592
N-[4-[4-[1-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 134404667
N-[4-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635075
4-amino-N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 151122673
4-amino-N-[4-[(2R)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 151122674

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
The IUPAC name of 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (CID 158298369) is 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate is CC(C)OC(=O)N1[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C[C@@H]1C.CC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@@H]1CN(C(=O)OCCC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)O[C@@H]2CCCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)O[C@@H]2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2ccc(F)c(F)c2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
The InChIKey is GMEQCBNXNKXDRZ-HTEJNPSZSA-N. The full InChI is InChI=1S/C30H36N4O5S.C29H27F3N4O3S.C28H25F3N4O3S.C27H30N4O6S.C26H28N4O6S.C26H30N4O5S/c1-22-21-33(30(36)39-20-16-23-7-3-2-4-8-23)18-19-34(22)29(35)25-12-14-26(15-13-25)32-40(37,38)27-11-5-9-24-10-6-17-31-28(24)27;1-18-17-35(19(2)26-23(30)12-13-24(31)27(26)32)15-16-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)25-7-3-5-20-6-4-14-33-28(20)25;1-18-16-34(17-21-9-12-23(29)26(31)25(21)30)14-15-35(18)28(36)20-7-10-22(11-8-20)33-39(37,38)24-6-2-4-19-5-3-13-32-27(19)24;1-19-17-30(27(33)37-23-7-4-16-36-18-23)14-15-31(19)26(32)21-9-11-22(12-10-21)29-38(34,35)24-8-2-5-20-6-3-13-28-25(20)24;1-18-16-29(26(32)36-22-11-15-35-17-22)13-14-30(18)25(31)20-7-9-21(10-8-20)28-37(33,34)23-6-2-4-19-5-3-12-27-24(19)23;1-17(2)35-26(32)30-18(3)15-29(16-19(30)4)25(31)21-10-12-22(13-11-21)28-36(33,34)23-9-5-7-20-8-6-14-27-24(20)23/h5-6,9-15,17,22-23,32H,2-4,7-8,16,18-21H2,1H3;3-14,18-19,34H,15-17H2,1-2H3;2-13,18,33H,14-17H2,1H3;2-3,5-6,8-13,19,23,29H,4,7,14-18H2,1H3;2-10,12,18,22,28H,11,13-17H2,1H3;5-14,17-19,28H,15-16H2,1-4H3/t22-;18-,19?;18-;19-,23-;18-,22-;18-,19+/m10011./s1.
What are the key properties of 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?
2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate has a molecular weight of 3261.76 g/mol, XLogP of 26.17, 34 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 158298369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).