(12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene

C30H28N2O3S — CID 177433467

IUPAC(12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene
SMILESCOc1cccc2c1/C=C\CN(S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1N2c1ccccc1
InChIInChI=1S/C30H28N2O3S/c1-23-17-19-26(20-18-23)36(33,34)31-21-9-13-27-29(15-8-16-30(27)35-2)32(25-11-4-3-5-12-25)28-14-7-6-10-24(28)22-31/h3-20H,21-22H2,1-2H3/b13-9-
InChIKeyWUQDYPVZNSFZNM-LCYFTJDESA-N
MW496.63 g/mol
LogP6.69
Rot. Bonds4

About (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene

(12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene (PubChem CID 177433467) has the molecular formula C30H28N2O3S and a molecular weight of 496.63 g/mol. Its IUPAC name is (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene.

Molecular Properties

Compound Name(12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene
PubChem CID177433467
Molecular FormulaC30H28N2O3S
Molecular Weight496.63 g/mol
Exact Mass496.18
IUPAC Name(12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene
SMILESCOc1cccc2c1/C=C\CN(S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1N2c1ccccc1
InChIInChI=1S/C30H28N2O3S/c1-23-17-19-26(20-18-23)36(33,34)31-21-9-13-27-29(15-8-16-30(27)35-2)32(25-11-4-3-5-12-25)28-14-7-6-10-24(28)22-31/h3-20H,21-22H2,1-2H3/b13-9-
InChIKeyWUQDYPVZNSFZNM-LCYFTJDESA-N
XLogP6.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene with MolForge

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Related Compounds

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(R)-(2-methoxyphenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol
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1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
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6-bromo-4-methoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
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3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
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(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
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Frequently Asked Questions

What is the IUPAC name of (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene?
The IUPAC name of (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene (CID 177433467) is (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene.
What is the SMILES notation for (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene?
The canonical SMILES for (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene is COc1cccc2c1/C=C\CN(S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1N2c1ccccc1.
What is the InChIKey of (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene?
The InChIKey is WUQDYPVZNSFZNM-LCYFTJDESA-N. The full InChI is InChI=1S/C30H28N2O3S/c1-23-17-19-26(20-18-23)36(33,34)31-21-9-13-27-29(15-8-16-30(27)35-2)32(25-11-4-3-5-12-25)28-14-7-6-10-24(28)22-31/h3-20H,21-22H2,1-2H3/b13-9-.
What are the key properties of (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene?
(12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene has a molecular weight of 496.63 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-15-methoxy-10-(4-methylphenyl)sulfonyl-2-phenyl-2,10-diazatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,12,15,17-heptaene is sourced from PubChem (CID 177433467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).