(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide

C200H244F3N29O25S7 — CID 158212257

IUPAC(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.COc1ccc2c(c1)CCC(NC(=O)C(N)CCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
InChIInChI=1S/C30H35FN4O5S.C29H35N5O4S.C29H36N4O4S.C28H32F2N4O3S.C28H34N4O4S.C28H36N4O3S.C28H36N4O2S/c1-20(36)34-28(9-4-5-16-33-41(39,40)29-10-3-2-8-26(29)31)30(38)35-27-14-11-22-18-23(37)12-13-24(22)25(27)17-21-7-6-15-32-19-21;30-29(36)34-27(14-6-7-18-32-39(37,38)23-11-2-1-3-12-23)28(35)33-26-16-15-22-10-4-5-13-24(22)25(26)19-21-9-8-17-31-20-21;1-37-23-13-14-25-22(19-23)12-15-28(26(25)18-21-8-7-16-31-20-21)33-29(34)27(30)11-5-6-17-32-38(35,36)24-9-3-2-4-10-24;29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30;29-26(10-4-5-16-31-37(35,36)23-8-2-1-3-9-23)28(34)32-27-14-11-21-18-22(33)12-13-24(21)25(27)17-20-7-6-15-30-19-20;29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21;29-24(11-6-7-18-32-35(33,34)25-12-2-1-3-13-25)21-31-28-16-15-23-10-4-5-14-26(23)27(28)19-22-9-8-17-30-20-22/h2-3,6-8,10,12-13,15,18-19,25,27-28,33,37H,4-5,9,11,14,16-17H2,1H3,(H,34,36)(H,35,38);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36);2-4,7-10,13-14,16,19-20,26-28,32H,5-6,11-12,15,17-18,30H2,1H3,(H,33,34);1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35);1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);1-3,6-7,9-10,12-13,15,18-19,23,27-28,31-33H,4-5,8,11,14,16-17,20,29H2;1-5,8-10,12-14,17,20,24,27-28,31-32H,6-7,11,15-16,18-19,21,29H2/t25?,27?,28-;25?,26?,27-;;;;;/m00...../s1
InChIKeyGCFJUJZTRBQALL-NZFZAKSFSA-N
MW3735.79 g/mol
LogP23.58
Rot. Bonds82

About (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide

(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide (PubChem CID 158212257) has the molecular formula C200H244F3N29O25S7 and a molecular weight of 3735.79 g/mol. Its IUPAC name is (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
PubChem CID158212257
Molecular FormulaC200H244F3N29O25S7
Molecular Weight3735.79 g/mol
Exact Mass3732.67
IUPAC Name(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.COc1ccc2c(c1)CCC(NC(=O)C(N)CCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
InChIInChI=1S/C30H35FN4O5S.C29H35N5O4S.C29H36N4O4S.C28H32F2N4O3S.C28H34N4O4S.C28H36N4O3S.C28H36N4O2S/c1-20(36)34-28(9-4-5-16-33-41(39,40)29-10-3-2-8-26(29)31)30(38)35-27-14-11-22-18-23(37)12-13-24(22)25(27)17-21-7-6-15-32-19-21;30-29(36)34-27(14-6-7-18-32-39(37,38)23-11-2-1-3-12-23)28(35)33-26-16-15-22-10-4-5-13-24(22)25(26)19-21-9-8-17-31-20-21;1-37-23-13-14-25-22(19-23)12-15-28(26(25)18-21-8-7-16-31-20-21)33-29(34)27(30)11-5-6-17-32-38(35,36)24-9-3-2-4-10-24;29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30;29-26(10-4-5-16-31-37(35,36)23-8-2-1-3-9-23)28(34)32-27-14-11-21-18-22(33)12-13-24(21)25(27)17-20-7-6-15-30-19-20;29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21;29-24(11-6-7-18-32-35(33,34)25-12-2-1-3-13-25)21-31-28-16-15-23-10-4-5-14-26(23)27(28)19-22-9-8-17-30-20-22/h2-3,6-8,10,12-13,15,18-19,25,27-28,33,37H,4-5,9,11,14,16-17H2,1H3,(H,34,36)(H,35,38);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36);2-4,7-10,13-14,16,19-20,26-28,32H,5-6,11-12,15,17-18,30H2,1H3,(H,33,34);1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35);1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);1-3,6-7,9-10,12-13,15,18-19,23,27-28,31-33H,4-5,8,11,14,16-17,20,29H2;1-5,8-10,12-14,17,20,24,27-28,31-32H,6-7,11,15-16,18-19,21,29H2/t25?,27?,28-;25?,26?,27-;;;;;/m00...../s1
InChIKeyGCFJUJZTRBQALL-NZFZAKSFSA-N
XLogP23.58
TPSA867.22 Ų
H-Bond Donors25
H-Bond Acceptors39
Rotatable Bonds82
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003735.79
LogP ≤ 523.58
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide with MolForge

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Related Compounds

4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohexanecarboxylic acid (6-methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
CID 44344312
2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 9831209
2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 9917211
(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 9938237
6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide
CID 18735098
tert-butyl N-[6-[(2-fluorophenyl)sulfonylamino]-1-[[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-oxohexan-2-yl]carbamate
CID 21036699
(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 58665105
(2S)-2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 58665107
tert-butyl N-[(2S)-6-[(2-fluorophenyl)sulfonylamino]-1-[[(1S,2R)-6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-oxohexan-2-yl]carbamate
CID 58665108
(2S)-2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[(1S,2R)-6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 58665111
2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
CID 9831027
4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-[(1S,2R)-6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide
CID 10698209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The IUPAC name of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide (CID 158212257) is (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The canonical SMILES for (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide is CC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.COc1ccc2c(c1)CCC(NC(=O)C(N)CCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1.
What is the InChIKey of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The InChIKey is GCFJUJZTRBQALL-NZFZAKSFSA-N. The full InChI is InChI=1S/C30H35FN4O5S.C29H35N5O4S.C29H36N4O4S.C28H32F2N4O3S.C28H34N4O4S.C28H36N4O3S.C28H36N4O2S/c1-20(36)34-28(9-4-5-16-33-41(39,40)29-10-3-2-8-26(29)31)30(38)35-27-14-11-22-18-23(37)12-13-24(22)25(27)17-21-7-6-15-32-19-21;30-29(36)34-27(14-6-7-18-32-39(37,38)23-11-2-1-3-12-23)28(35)33-26-16-15-22-10-4-5-13-24(22)25(26)19-21-9-8-17-31-20-21;1-37-23-13-14-25-22(19-23)12-15-28(26(25)18-21-8-7-16-31-20-21)33-29(34)27(30)11-5-6-17-32-38(35,36)24-9-3-2-4-10-24;29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30;29-26(10-4-5-16-31-37(35,36)23-8-2-1-3-9-23)28(34)32-27-14-11-21-18-22(33)12-13-24(21)25(27)17-20-7-6-15-30-19-20;29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21;29-24(11-6-7-18-32-35(33,34)25-12-2-1-3-13-25)21-31-28-16-15-23-10-4-5-14-26(23)27(28)19-22-9-8-17-30-20-22/h2-3,6-8,10,12-13,15,18-19,25,27-28,33,37H,4-5,9,11,14,16-17H2,1H3,(H,34,36)(H,35,38);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36);2-4,7-10,13-14,16,19-20,26-28,32H,5-6,11-12,15,17-18,30H2,1H3,(H,33,34);1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35);1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);1-3,6-7,9-10,12-13,15,18-19,23,27-28,31-33H,4-5,8,11,14,16-17,20,29H2;1-5,8-10,12-14,17,20,24,27-28,31-32H,6-7,11,15-16,18-19,21,29H2/t25?,27?,28-;25?,26?,27-;;;;;/m00...../s1.
What are the key properties of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide has a molecular weight of 3735.79 g/mol, XLogP of 23.58, 82 rotatable bonds, 25 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide is sourced from PubChem (CID 158212257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).