N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol

C198H258F10N18O26S5 — CID 158860996

IUPACN-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol
SMILESC.CC1CC2CCC(C1)N2C(=O)C(N(C)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(O)cc1.CC1CC2CCC(C1)N2C(=O)C(N(C)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(OCCN2CCCCC2)cc1.CN(C(C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.CN([C@@H](C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.CN([C@H](C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.OCCN1CCCCC1
InChIInChI=1S/C40H51F2N3O5S.3C39H50F2N4O5S.C33H38F2N2O5S.C7H15NO.CH4/c1-28-24-32-14-15-33(25-28)45(32)39(46)38(40(41,42)31-12-17-34(18-13-31)49-23-22-44-20-6-3-7-21-44)43(2)51(47,48)37-19-11-29-26-36(16-10-30(29)27-37)50-35-8-4-5-9-35;3*1-43(51(47,48)36-18-10-27-23-35(15-9-28(27)24-36)50-34-7-3-4-8-34)37(38(46)45-31-13-14-32(45)26-30(42)25-31)39(40,41)29-11-16-33(17-12-29)49-22-21-44-19-5-2-6-20-44;1-21-17-25-11-12-26(18-21)37(25)32(39)31(33(34,35)24-9-13-27(38)14-10-24)36(2)43(40,41)30-16-8-22-19-29(15-7-23(22)20-30)42-28-5-3-4-6-28;9-7-6-8-4-2-1-3-5-8;/h10-13,16-19,26-28,32-33,35,38H,3-9,14-15,20-25H2,1-2H3;3*9-12,15-18,23-24,30-32,34,37H,2-8,13-14,19-22,25-26,42H2,1H3;7-10,13-16,19-21,25-26,28,31,38H,3-6,11-12,17-18H2,1-2H3;9H,1-7H2;1H4/t;2*30?,31?,32?,37-;;;;/m.10..../s1
InChIKeyJAQNXMTVIRHPDX-UYQJOARBSA-N
MW3656.66 g/mol
LogP34.00
Rot. Bonds58

About N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol (PubChem CID 158860996) has the molecular formula C198H258F10N18O26S5 and a molecular weight of 3656.66 g/mol. Its IUPAC name is N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol.

Molecular Properties

Compound NameN-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol
PubChem CID158860996
Molecular FormulaC198H258F10N18O26S5
Molecular Weight3656.66 g/mol
Exact Mass3653.79
IUPAC NameN-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol
SMILESC.CC1CC2CCC(C1)N2C(=O)C(N(C)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(O)cc1.CC1CC2CCC(C1)N2C(=O)C(N(C)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(OCCN2CCCCC2)cc1.CN(C(C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.CN([C@@H](C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.CN([C@H](C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.OCCN1CCCCC1
InChIInChI=1S/C40H51F2N3O5S.3C39H50F2N4O5S.C33H38F2N2O5S.C7H15NO.CH4/c1-28-24-32-14-15-33(25-28)45(32)39(46)38(40(41,42)31-12-17-34(18-13-31)49-23-22-44-20-6-3-7-21-44)43(2)51(47,48)37-19-11-29-26-36(16-10-30(29)27-37)50-35-8-4-5-9-35;3*1-43(51(47,48)36-18-10-27-23-35(15-9-28(27)24-36)50-34-7-3-4-8-34)37(38(46)45-31-13-14-32(45)26-30(42)25-31)39(40,41)29-11-16-33(17-12-29)49-22-21-44-19-5-2-6-20-44;1-21-17-25-11-12-26(18-21)37(25)32(39)31(33(34,35)24-9-13-27(38)14-10-24)36(2)43(40,41)30-16-8-22-19-29(15-7-23(22)20-30)42-28-5-3-4-6-28;9-7-6-8-4-2-1-3-5-8;/h10-13,16-19,26-28,32-33,35,38H,3-9,14-15,20-25H2,1-2H3;3*9-12,15-18,23-24,30-32,34,37H,2-8,13-14,19-22,25-26,42H2,1H3;7-10,13-16,19-21,25-26,28,31,38H,3-6,11-12,17-18H2,1-2H3;9H,1-7H2;1H4/t;2*30?,31?,32?,37-;;;;/m.10..../s1
InChIKeyJAQNXMTVIRHPDX-UYQJOARBSA-N
XLogP34.00
TPSA506.24 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds58
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003656.66
LogP ≤ 534.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide
CID 146196260
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-1-(4-methylphenyl)-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide
CID 158443919
[4-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonyl-methylamino]-1,1-difluoro-3-oxopropyl]phenyl] 2,2,2-trifluoroacetate
CID 146196174
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[1-(3-bromophenyl)-1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[1-(3-bromophenyl)-1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 159928180
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-ethylnaphthalene-2-sulfonamide
CID 135176027
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-propan-2-ylnaphthalene-2-sulfonamide
CID 135175657
N-[(2R)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-1-(4-methylphenyl)-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide
CID 158204974
[[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino] 2,2,2-trifluoroacetate
CID 146196502
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 135175225
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 135175194
N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromo-3-methoxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide
CID 146196433
N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 135155332

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol?
The IUPAC name of N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol (CID 158860996) is N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol.
What is the SMILES notation for N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol?
The canonical SMILES for N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol is C.CC1CC2CCC(C1)N2C(=O)C(N(C)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(O)cc1.CC1CC2CCC(C1)N2C(=O)C(N(C)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(F)(F)c1ccc(OCCN2CCCCC2)cc1.CN(C(C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.CN([C@@H](C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.CN([C@H](C(=O)N1C2CCC1CC(N)C2)C(F)(F)c1ccc(OCCN2CCCCC2)cc1)S(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1.OCCN1CCCCC1.
What is the InChIKey of N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol?
The InChIKey is JAQNXMTVIRHPDX-UYQJOARBSA-N. The full InChI is InChI=1S/C40H51F2N3O5S.3C39H50F2N4O5S.C33H38F2N2O5S.C7H15NO.CH4/c1-28-24-32-14-15-33(25-28)45(32)39(46)38(40(41,42)31-12-17-34(18-13-31)49-23-22-44-20-6-3-7-21-44)43(2)51(47,48)37-19-11-29-26-36(16-10-30(29)27-37)50-35-8-4-5-9-35;3*1-43(51(47,48)36-18-10-27-23-35(15-9-28(27)24-36)50-34-7-3-4-8-34)37(38(46)45-31-13-14-32(45)26-30(42)25-31)39(40,41)29-11-16-33(17-12-29)49-22-21-44-19-5-2-6-20-44;1-21-17-25-11-12-26(18-21)37(25)32(39)31(33(34,35)24-9-13-27(38)14-10-24)36(2)43(40,41)30-16-8-22-19-29(15-7-23(22)20-30)42-28-5-3-4-6-28;9-7-6-8-4-2-1-3-5-8;/h10-13,16-19,26-28,32-33,35,38H,3-9,14-15,20-25H2,1-2H3;3*9-12,15-18,23-24,30-32,34,37H,2-8,13-14,19-22,25-26,42H2,1H3;7-10,13-16,19-21,25-26,28,31,38H,3-6,11-12,17-18H2,1-2H3;9H,1-7H2;1H4/t;2*30?,31?,32?,37-;;;;/m.10..../s1.
What are the key properties of N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol?
N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol has a molecular weight of 3656.66 g/mol, XLogP of 34.00, 58 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-1-(4-hydroxyphenyl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropan-2-yl]-N-methylnaphthalene-2-sulfonamide;6-cyclopentyloxy-N-[1,1-difluoro-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-N-methylnaphthalene-2-sulfonamide;methane;2-piperidin-1-ylethanol is sourced from PubChem (CID 158860996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).