4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

C19H22N4O3S — CID 51121171

IUPAC4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)cc1C
InChIInChI=1S/C19H22N4O3S/c1-13-10-18(14(2)9-17(13)26-4)27(24,25)22-12-16-5-6-21-19(11-16)23-8-7-20-15(23)3/h5-11,22H,12H2,1-4H3
InChIKeyDWUMXLCHMSFHKP-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.68
Rot. Bonds6

About 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 51121171) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID51121171
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)cc1C
InChIInChI=1S/C19H22N4O3S/c1-13-10-18(14(2)9-17(13)26-4)27(24,25)22-12-16-5-6-21-19(11-16)23-8-7-20-15(23)3/h5-11,22H,12H2,1-4H3
InChIKeyDWUMXLCHMSFHKP-UHFFFAOYSA-N
XLogP2.68
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55906894
2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913357
4-methoxy-2,5-dimethyl-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121074768
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
4-methoxy-2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966585
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55849533
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 35323775
4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 100691010
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
4-methoxy-3-methyl-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121074767

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (CID 51121171) is 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is DWUMXLCHMSFHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-10-18(14(2)9-17(13)26-4)27(24,25)22-12-16-5-6-21-19(11-16)23-8-7-20-15(23)3/h5-11,22H,12H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 51121171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).