N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide

C27H28N2O4S — CID 59438371

IUPACN-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C27H28N2O4S/c30-25-14-7-12-21-17-18-22(19-23(21)25)24-13-8-16-27(28-24)34(32,33)29-26(31)15-6-2-5-11-20-9-3-1-4-10-20/h1,3-4,8-10,13,16-19H,2,5-7,11-12,14-15H2,(H,29,31)
InChIKeyUBQGQGPNQGNJBK-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.88
Rot. Bonds9

About N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide

N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide (PubChem CID 59438371) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide.

Molecular Properties

Compound NameN-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide
PubChem CID59438371
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C27H28N2O4S/c30-25-14-7-12-21-17-18-22(19-23(21)25)24-13-8-16-27(28-24)34(32,33)29-26(31)15-6-2-5-11-20-9-3-1-4-10-20/h1,3-4,8-10,13,16-19H,2,5-7,11-12,14-15H2,(H,29,31)
InChIKeyUBQGQGPNQGNJBK-UHFFFAOYSA-N
XLogP4.88
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide?
The IUPAC name of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide (CID 59438371) is N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide.
What is the SMILES notation for N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide?
The canonical SMILES for N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide is O=C(CCCCCc1ccccc1)NS(=O)(=O)c1cccc(-c2ccc3c(c2)C(=O)CCC3)n1.
What is the InChIKey of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide?
The InChIKey is UBQGQGPNQGNJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c30-25-14-7-12-21-17-18-22(19-23(21)25)24-13-8-16-27(28-24)34(32,33)29-26(31)15-6-2-5-11-20-9-3-1-4-10-20/h1,3-4,8-10,13,16-19H,2,5-7,11-12,14-15H2,(H,29,31).
What are the key properties of N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide?
N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide has a molecular weight of 476.60 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-2-pyridinyl]sulfonyl]-6-phenylhexanamide is sourced from PubChem (CID 59438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).