6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide

C30H37FN4O4S — CID 18735098

IUPAC6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide
SMILESCNC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(OC)ccc2C1Cc1cccnc1
InChIInChI=1S/C30H37FN4O4S/c1-32-28(10-5-6-17-34-40(37,38)29-11-4-3-9-26(29)31)30(36)35-27-15-12-22-19-23(39-2)13-14-24(22)25(27)18-21-8-7-16-33-20-21/h3-4,7-9,11,13-14,16,19-20,25,27-28,32,34H,5-6,10,12,15,17-18H2,1-2H3,(H,35,36)
InChIKeyLZTXFACUQJDBRC-UHFFFAOYSA-N
MW568.72 g/mol
LogP3.72
Rot. Bonds13

About 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide

6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide (PubChem CID 18735098) has the molecular formula C30H37FN4O4S and a molecular weight of 568.72 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide
PubChem CID18735098
Molecular FormulaC30H37FN4O4S
Molecular Weight568.72 g/mol
Exact Mass568.25
IUPAC Name6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide
SMILESCNC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(OC)ccc2C1Cc1cccnc1
InChIInChI=1S/C30H37FN4O4S/c1-32-28(10-5-6-17-34-40(37,38)29-11-4-3-9-26(29)31)30(36)35-27-15-12-22-19-23(39-2)13-14-24(22)25(27)18-21-8-7-16-33-20-21/h3-4,7-9,11,13-14,16,19-20,25,27-28,32,34H,5-6,10,12,15,17-18H2,1-2H3,(H,35,36)
InChIKeyLZTXFACUQJDBRC-UHFFFAOYSA-N
XLogP3.72
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.72
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide?
The IUPAC name of 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide (CID 18735098) is 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide.
What is the SMILES notation for 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide?
The canonical SMILES for 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide is CNC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(OC)ccc2C1Cc1cccnc1.
What is the InChIKey of 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide?
The InChIKey is LZTXFACUQJDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O4S/c1-32-28(10-5-6-17-34-40(37,38)29-11-4-3-9-26(29)31)30(36)35-27-15-12-22-19-23(39-2)13-14-24(22)25(27)18-21-8-7-16-33-20-21/h3-4,7-9,11,13-14,16,19-20,25,27-28,32,34H,5-6,10,12,15,17-18H2,1-2H3,(H,35,36).
What are the key properties of 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide?
6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide has a molecular weight of 568.72 g/mol, XLogP of 3.72, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)sulfonylamino]-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(methylamino)hexanamide is sourced from PubChem (CID 18735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).