1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone

C24H23NO3S — CID 155537003

IUPAC1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CC[C@@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H23NO3S/c1-17-10-13-21(14-11-17)29(27,28)25-16-20(18(2)26)12-15-24(25)23-9-5-7-19-6-3-4-8-22(19)23/h3-14,24H,15-16H2,1-2H3/t24-/m0/s1
InChIKeyRPWWAFAAGSYAJV-DEOSSOPVSA-N
MW405.52 g/mol
LogP4.80
Rot. Bonds4

About 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone

1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone (PubChem CID 155537003) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone
PubChem CID155537003
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CC[C@@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H23NO3S/c1-17-10-13-21(14-11-17)29(27,28)25-16-20(18(2)26)12-15-24(25)23-9-5-7-19-6-3-4-8-22(19)23/h3-14,24H,15-16H2,1-2H3/t24-/m0/s1
InChIKeyRPWWAFAAGSYAJV-DEOSSOPVSA-N
XLogP4.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone (CID 155537003) is 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone is CC(=O)C1=CC[C@@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The InChIKey is RPWWAFAAGSYAJV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-17-10-13-21(14-11-17)29(27,28)25-16-20(18(2)26)12-15-24(25)23-9-5-7-19-6-3-4-8-22(19)23/h3-14,24H,15-16H2,1-2H3/t24-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone has a molecular weight of 405.52 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 155537003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).