(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide

C179H222FN25O21S6 — CID 157395225

IUPAC(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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.CN(C)[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.CN(C)[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2[C@H]1Cc1cccnc1.CN(C)[C@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.CN(C)[C@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2[C@H]1Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1
InChIInChI=1S/C30H35FN4O5S.4C30H38N4O3S.C29H35N5O4S/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;4*1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23;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/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);4*3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36)/t25?,27?,28-;2*27-,28+,29+;2*27-,28+,29-;25?,26?,27-/m010100/s1
InChIKeyBMMLPBQNIJLBEC-STOYXJPZSA-N
MW3271.30 g/mol
LogP22.03
Rot. Bonds72

About (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide (PubChem CID 157395225) has the molecular formula C179H222FN25O21S6 and a molecular weight of 3271.30 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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
PubChem CID157395225
Molecular FormulaC179H222FN25O21S6
Molecular Weight3271.30 g/mol
Exact Mass3268.54
IUPAC Name(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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.CN(C)[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.CN(C)[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2[C@H]1Cc1cccnc1.CN(C)[C@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.CN(C)[C@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2[C@H]1Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1
InChIInChI=1S/C30H35FN4O5S.4C30H38N4O3S.C29H35N5O4S/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;4*1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23;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/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);4*3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36)/t25?,27?,28-;2*27-,28+,29+;2*27-,28+,29-;25?,26?,27-/m010100/s1
InChIKeyBMMLPBQNIJLBEC-STOYXJPZSA-N
XLogP22.03
TPSA646.37 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds72
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003271.30
LogP ≤ 522.03
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide with MolForge

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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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide (CID 157395225) is (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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.CN(C)[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.CN(C)[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2[C@H]1Cc1cccnc1.CN(C)[C@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.CN(C)[C@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2[C@H]1Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.
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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The InChIKey is BMMLPBQNIJLBEC-STOYXJPZSA-N. The full InChI is InChI=1S/C30H35FN4O5S.4C30H38N4O3S.C29H35N5O4S/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;4*1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23;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/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);4*3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36)/t25?,27?,28-;2*27-,28+,29+;2*27-,28+,29-;25?,26?,27-/m010100/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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide has a molecular weight of 3271.30 g/mol, XLogP of 22.03, 72 rotatable bonds, 16 hydrogen bond donors, and 31 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;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1R,2S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2R)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;(2S)-6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide is sourced from PubChem (CID 157395225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).