2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene

C35H46N4O4S — CID 142042685

About 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene

2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene (PubChem CID 142042685) has the molecular formula C35H46N4O4S and a molecular weight of 618.84 g/mol. Its IUPAC name is 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene.

Molecular Properties

• Compound Name: 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene
• PubChem CID: 142042685
• Molecular Formula: C35H46N4O4S
• Molecular Weight: 618.84 g/mol
• Exact Mass: 618.32
• IUPAC Name: 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene
• SMILES: C=CC.C=CC=C.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1
• InChI: InChI=1S/C28H34N4O4S.C4H6.C3H6/c29-26(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;1-3-4-2;1-3-2/h1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);3-4H,1-2H2;3H,1H2,2H3
• InChIKey: ADYOADGTWKAYBM-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 134.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.84
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene?

The IUPAC name of 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene (CID 142042685) is 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene.

What is the SMILES notation for 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene?

The canonical SMILES for 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene is C=CC.C=CC=C.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.

What is the InChIKey of 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene?

The InChIKey is ADYOADGTWKAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4S.C4H6.C3H6/c29-26(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;1-3-4-2;1-3-2/h1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);3-4H,1-2H2;3H,1H2,2H3.

What are the key properties of 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene?

2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene has a molecular weight of 618.84 g/mol, XLogP of 5.57, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;buta-1,3-diene;prop-1-ene is sourced from PubChem (CID 142042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).