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

C29H25NO3S — CID 139051733

IUPAC[(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC=C(C(=O)c3ccccc3)[C@@H]2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H25NO3S/c1-21-13-17-26(18-14-21)34(32,33)30-19-7-12-27(29(31)23-9-3-2-4-10-23)28(30)25-16-15-22-8-5-6-11-24(22)20-25/h2-6,8-18,20,28H,7,19H2,1H3/t28-/m0/s1
InChIKeyZHWVLXNWTKCJLF-NDEPHWFRSA-N
MW467.59 g/mol
LogP6.09
Rot. Bonds5

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

[(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone (PubChem CID 139051733) has the molecular formula C29H25NO3S and a molecular weight of 467.59 g/mol. Its IUPAC name is [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone
PubChem CID139051733
Molecular FormulaC29H25NO3S
Molecular Weight467.59 g/mol
Exact Mass467.16
IUPAC Name[(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC=C(C(=O)c3ccccc3)[C@@H]2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H25NO3S/c1-21-13-17-26(18-14-21)34(32,33)30-19-7-12-27(29(31)23-9-3-2-4-10-23)28(30)25-16-15-22-8-5-6-11-24(22)20-25/h2-6,8-18,20,28H,7,19H2,1H3/t28-/m0/s1
InChIKeyZHWVLXNWTKCJLF-NDEPHWFRSA-N
XLogP6.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-Naphthalen-1-ylmethyl-4-sulfamoyl-benzamide
CID 10382616
N-(2-naphthalen-2-ylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456567
4-[4-(Naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164618737
N-(naphthalen-1-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-4-(3-sulfanylidenedithiol-4-yl)benzamide
CID 168279491
1-[1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11560493
1-[4-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-phenyl]-ethanone
CID 863776
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-carboxamide
CID 2608487
2-methyl-5-(methylsulfamoyl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 168287888
2-(2-naphthylmethyl)-1,1-dioxo-3H-1$l^{6},2-benzothiazin-4-one
CID 509130
N-(2,2-difluoro-3-naphthalen-2-yl-3-oxo-1-phenylpropyl)benzenesulfonamide
CID 68359209
4,9-Dibutyl-2-(4-methylphenyl)sulfonyl-1,3-dihydrobenzo[f]isoindole-5,8-dione
CID 162656330
2-[3-Benzoyl-4-(dimethylamino)-1,1-dioxo-1lambda6,2-benzothiazin-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 24098996

Frequently Asked Questions

What is the IUPAC name of [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone?
The IUPAC name of [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone (CID 139051733) is [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)N2CCC=C(C(=O)c3ccccc3)[C@@H]2c2ccc3ccccc3c2)cc1.
What is the InChIKey of [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone?
The InChIKey is ZHWVLXNWTKCJLF-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H25NO3S/c1-21-13-17-26(18-14-21)34(32,33)30-19-7-12-27(29(31)23-9-3-2-4-10-23)28(30)25-16-15-22-8-5-6-11-24(22)20-25/h2-6,8-18,20,28H,7,19H2,1H3/t28-/m0/s1.
What are the key properties of [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone?
[(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone has a molecular weight of 467.59 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-1-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-3,6-dihydro-2H-pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 139051733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).