N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide

C25H30N2O4S — CID 10275986

IUPACN-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc2cc(OCCNC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C25H30N2O4S/c1-18(2)32(29,30)27-17-19(3)21-9-10-23-16-24(12-11-22(23)15-21)31-14-13-26-25(28)20-7-5-4-6-8-20/h4-12,15-16,18-19,27H,13-14,17H2,1-3H3,(H,26,28)
InChIKeyMVJGNMZBLDVYBW-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.08
Rot. Bonds10

About N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide

N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide (PubChem CID 10275986) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide.

Molecular Properties

Compound NameN-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide
PubChem CID10275986
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC NameN-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc2cc(OCCNC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C25H30N2O4S/c1-18(2)32(29,30)27-17-19(3)21-9-10-23-16-24(12-11-22(23)15-21)31-14-13-26-25(28)20-7-5-4-6-8-20/h4-12,15-16,18-19,27H,13-14,17H2,1-3H3,(H,26,28)
InChIKeyMVJGNMZBLDVYBW-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide?
The IUPAC name of N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide (CID 10275986) is N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide.
What is the SMILES notation for N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide?
The canonical SMILES for N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide is CC(CNS(=O)(=O)C(C)C)c1ccc2cc(OCCNC(=O)c3ccccc3)ccc2c1.
What is the InChIKey of N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide?
The InChIKey is MVJGNMZBLDVYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-18(2)32(29,30)27-17-19(3)21-9-10-23-16-24(12-11-22(23)15-21)31-14-13-26-25(28)20-7-5-4-6-8-20/h4-12,15-16,18-19,27H,13-14,17H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide?
N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide has a molecular weight of 454.59 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[1-(propan-2-ylsulfonylamino)propan-2-yl]naphthalen-2-yl]oxyethyl]benzamide is sourced from PubChem (CID 10275986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).