2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide

C140H167N21O14S3 — CID 158247687

IUPAC2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide
SMILESNC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(CO)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C29H36N4O4S.C28H33N5O2.C28H34N4O3S.C28H32N4O2.C27H32N4O3S/c30-27(10-4-5-16-32-38(36,37)24-8-2-1-3-9-24)29(35)33-28-14-12-23-17-22(20-34)11-13-25(23)26(28)18-21-7-6-15-31-19-21;34-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-33-16-13-26(14-17-33)32-28(35)31-25-11-5-2-6-12-25;29-26(14-6-7-18-31-36(34,35)23-11-2-1-3-12-23)28(33)32-27-16-15-22-10-4-5-13-24(22)25(27)19-21-9-8-17-30-20-21;33-27(21-32-16-13-26(14-17-32)31-28(34)24-11-5-2-6-12-24)30-20-25(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22;32-27(29-20-24(23-9-3-1-4-10-23)18-22-8-7-15-28-19-22)21-31-16-13-25(14-17-31)30-35(33,34)26-11-5-2-6-12-26/h1-3,6-9,11,13,15,17,19,26-28,32,34H,4-5,10,12,14,16,18,20,30H2,(H,33,35);1-12,15,19,24,26H,13-14,16-18,20-21H2,(H,30,34)(H2,31,32,35);1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);1-12,15,19,25-26H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);1-12,15,19,24-25,30H,13-14,16-18,20-21H2,(H,29,32)
InChIKeyGGIDPWKXEWXWGM-UHFFFAOYSA-N
MW2464.21 g/mol
LogP16.32
Rot. Bonds51

About 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide

2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide (PubChem CID 158247687) has the molecular formula C140H167N21O14S3 and a molecular weight of 2464.21 g/mol. Its IUPAC name is 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide
PubChem CID158247687
Molecular FormulaC140H167N21O14S3
Molecular Weight2464.21 g/mol
Exact Mass2462.22
IUPAC Name2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide
SMILESNC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(CO)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C29H36N4O4S.C28H33N5O2.C28H34N4O3S.C28H32N4O2.C27H32N4O3S/c30-27(10-4-5-16-32-38(36,37)24-8-2-1-3-9-24)29(35)33-28-14-12-23-17-22(20-34)11-13-25(23)26(28)18-21-7-6-15-31-19-21;34-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-33-16-13-26(14-17-33)32-28(35)31-25-11-5-2-6-12-25;29-26(14-6-7-18-31-36(34,35)23-11-2-1-3-12-23)28(33)32-27-16-15-22-10-4-5-13-24(22)25(27)19-21-9-8-17-30-20-21;33-27(21-32-16-13-26(14-17-32)31-28(34)24-11-5-2-6-12-24)30-20-25(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22;32-27(29-20-24(23-9-3-1-4-10-23)18-22-8-7-15-28-19-22)21-31-16-13-25(14-17-31)30-35(33,34)26-11-5-2-6-12-26/h1-3,6-9,11,13,15,17,19,26-28,32,34H,4-5,10,12,14,16,18,20,30H2,(H,33,35);1-12,15,19,24,26H,13-14,16-18,20-21H2,(H,30,34)(H2,31,32,35);1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);1-12,15,19,25-26H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);1-12,15,19,24-25,30H,13-14,16-18,20-21H2,(H,29,32)
InChIKeyGGIDPWKXEWXWGM-UHFFFAOYSA-N
XLogP16.32
TPSA500.68 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds51
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002464.21
LogP ≤ 516.32
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide?
The IUPAC name of 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide (CID 158247687) is 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide.
What is the SMILES notation for 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide?
The canonical SMILES for 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide is NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(CO)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide?
The InChIKey is GGIDPWKXEWXWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4S.C28H33N5O2.C28H34N4O3S.C28H32N4O2.C27H32N4O3S/c30-27(10-4-5-16-32-38(36,37)24-8-2-1-3-9-24)29(35)33-28-14-12-23-17-22(20-34)11-13-25(23)26(28)18-21-7-6-15-31-19-21;34-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-33-16-13-26(14-17-33)32-28(35)31-25-11-5-2-6-12-25;29-26(14-6-7-18-31-36(34,35)23-11-2-1-3-12-23)28(33)32-27-16-15-22-10-4-5-13-24(22)25(27)19-21-9-8-17-30-20-21;33-27(21-32-16-13-26(14-17-32)31-28(34)24-11-5-2-6-12-24)30-20-25(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22;32-27(29-20-24(23-9-3-1-4-10-23)18-22-8-7-15-28-19-22)21-31-16-13-25(14-17-31)30-35(33,34)26-11-5-2-6-12-26/h1-3,6-9,11,13,15,17,19,26-28,32,34H,4-5,10,12,14,16,18,20,30H2,(H,33,35);1-12,15,19,24,26H,13-14,16-18,20-21H2,(H,30,34)(H2,31,32,35);1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);1-12,15,19,25-26H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);1-12,15,19,24-25,30H,13-14,16-18,20-21H2,(H,29,32).
What are the key properties of 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide?
2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide has a molecular weight of 2464.21 g/mol, XLogP of 16.32, 51 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(benzenesulfonamido)-N-[6-(hydroxymethyl)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide is sourced from PubChem (CID 158247687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).