6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen

C31H36N2O4S — CID 145419657

IUPAC6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen
SMILESC=C1C=C(CCCC)N(c2c(OC)cccc2OC)C(C)=C1S(=O)(=O)c1ccc(-c2ccnc(C)c2)cc1.[H][H]
InChIInChI=1S/C31H34N2O4S.H2/c1-7-8-10-26-19-21(2)31(23(4)33(26)30-28(36-5)11-9-12-29(30)37-6)38(34,35)27-15-13-24(14-16-27)25-17-18-32-22(3)20-25;/h9,11-20H,2,7-8,10H2,1,3-6H3;1H
InChIKeyPFNDQHQTBHOAAJ-UHFFFAOYSA-N
MW532.71 g/mol
LogP7.48
Rot. Bonds9

About 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen

6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen (PubChem CID 145419657) has the molecular formula C31H36N2O4S and a molecular weight of 532.71 g/mol. Its IUPAC name is 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen.

Molecular Properties

Compound Name6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen
PubChem CID145419657
Molecular FormulaC31H36N2O4S
Molecular Weight532.71 g/mol
Exact Mass532.24
IUPAC Name6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen
SMILESC=C1C=C(CCCC)N(c2c(OC)cccc2OC)C(C)=C1S(=O)(=O)c1ccc(-c2ccnc(C)c2)cc1.[H][H]
InChIInChI=1S/C31H34N2O4S.H2/c1-7-8-10-26-19-21(2)31(23(4)33(26)30-28(36-5)11-9-12-29(30)37-6)38(34,35)27-15-13-24(14-16-27)25-17-18-32-22(3)20-25;/h9,11-20H,2,7-8,10H2,1,3-6H3;1H
InChIKeyPFNDQHQTBHOAAJ-UHFFFAOYSA-N
XLogP7.48
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.71
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine
CID 145419658
4-(4-butylphenyl)-2-methylpyridine
CID 154955904
ethane;5-fluoro-2-propylpyrimidine;4-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-methylpyridine
CID 145191463
2-butyl-3-(2,6-dimethoxyphenyl)-5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxypyrimidin-4-one
CID 138697874
ethane;4-methoxy-6-(2-methyl-4-pyridinyl)quinoline
CID 143158004
2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182
methyl N-[4-[4-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]phenyl]carbamate
CID 138698370
2-butyl-1,3-dimethoxybenzene
CID 524840
4-(2-propyl-4-pyridinyl)benzenesulfonic acid
CID 21452097
2-butyl-5-(4-tert-butylphenyl)sulfonyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
CID 138698291
2-butyl-3-(2,6-dimethoxyphenyl)-5-[3-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-6-hydroxypyrimidin-4-one
CID 138697868
4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323379

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen?
The IUPAC name of 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen (CID 145419657) is 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen.
What is the SMILES notation for 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen?
The canonical SMILES for 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen is C=C1C=C(CCCC)N(c2c(OC)cccc2OC)C(C)=C1S(=O)(=O)c1ccc(-c2ccnc(C)c2)cc1.[H][H].
What is the InChIKey of 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen?
The InChIKey is PFNDQHQTBHOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4S.H2/c1-7-8-10-26-19-21(2)31(23(4)33(26)30-28(36-5)11-9-12-29(30)37-6)38(34,35)27-15-13-24(14-16-27)25-17-18-32-22(3)20-25;/h9,11-20H,2,7-8,10H2,1,3-6H3;1H.
What are the key properties of 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen?
6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen has a molecular weight of 532.71 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-(2,6-dimethoxyphenyl)-2-methyl-4-methylidene-3-[4-(2-methyl-4-pyridinyl)phenyl]sulfonylpyridine;molecular hydrogen is sourced from PubChem (CID 145419657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).