methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate

C29H27NO7S — CID 102167425

IUPACmethyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(OC)cc2)N(S(=O)(=O)c2ccc(C)cc2)CC(C(=O)c2ccc(OC)cc2)=C1
InChIInChI=1S/C29H27NO7S/c1-19-5-15-25(16-6-19)38(33,34)30-18-22(28(31)21-9-13-24(36-3)14-10-21)17-26(29(32)37-4)27(30)20-7-11-23(35-2)12-8-20/h5-17H,18H2,1-4H3
InChIKeyYSVOBDGXGJJAAK-UHFFFAOYSA-N
MW533.60 g/mol
LogP4.41
Rot. Bonds8

About methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate

methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate (PubChem CID 102167425) has the molecular formula C29H27NO7S and a molecular weight of 533.60 g/mol. Its IUPAC name is methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate
PubChem CID102167425
Molecular FormulaC29H27NO7S
Molecular Weight533.60 g/mol
Exact Mass533.15
IUPAC Namemethyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(c2ccc(OC)cc2)N(S(=O)(=O)c2ccc(C)cc2)CC(C(=O)c2ccc(OC)cc2)=C1
InChIInChI=1S/C29H27NO7S/c1-19-5-15-25(16-6-19)38(33,34)30-18-22(28(31)21-9-13-24(36-3)14-10-21)17-26(29(32)37-4)27(30)20-7-11-23(35-2)12-8-20/h5-17H,18H2,1-4H3
InChIKeyYSVOBDGXGJJAAK-UHFFFAOYSA-N
XLogP4.41
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate with MolForge

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Related Compounds

[5-benzoyl-6-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridin-3-yl]-phenylmethanone
CID 44603590
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
2-amino-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carbonitrile
CID 141458849
methyl 3-amino-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepine-4-carboxylate
CID 122213063
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
methyl 4-[5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-3-yl]benzoate
CID 134852454
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate (CID 102167425) is methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate is COC(=O)C1=C(c2ccc(OC)cc2)N(S(=O)(=O)c2ccc(C)cc2)CC(C(=O)c2ccc(OC)cc2)=C1.
What is the InChIKey of methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate?
The InChIKey is YSVOBDGXGJJAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO7S/c1-19-5-15-25(16-6-19)38(33,34)30-18-22(28(31)21-9-13-24(36-3)14-10-21)17-26(29(32)37-4)27(30)20-7-11-23(35-2)12-8-20/h5-17H,18H2,1-4H3.
What are the key properties of methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate?
methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate has a molecular weight of 533.60 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 102167425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).