N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide

C19H22N4O3S — CID 176830881

IUPACN-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C)c(Oc2nc(-n3cnc(C)c3)ccc2NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H22N4O3S/c1-12-8-13(2)18(14(3)9-12)26-19-16(22-27(5,24)25)6-7-17(21-19)23-10-15(4)20-11-23/h6-11,22H,1-5H3
InChIKeyWPMJKJRZRJTPAY-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.66
Rot. Bonds5

About N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide

N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide (PubChem CID 176830881) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
PubChem CID176830881
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C)c(Oc2nc(-n3cnc(C)c3)ccc2NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H22N4O3S/c1-12-8-13(2)18(14(3)9-12)26-19-16(22-27(5,24)25)6-7-17(21-19)23-10-15(4)20-11-23/h6-11,22H,1-5H3
InChIKeyWPMJKJRZRJTPAY-UHFFFAOYSA-N
XLogP3.66
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 177181366
N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide
CID 176830664
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830557
4-methyl-6-(4-methylimidazol-1-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 160560105
N-(2,5-dimethyl-4-pyridinyl)methanesulfonamide
CID 126987931
2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
CID 163248709
4-tert-butyl-N-[4-chloro-2-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 90309898
N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide
CID 126989322
1-tert-butyl-6-methyl-3-(4-methylimidazol-1-yl)isoquinoline
CID 58558662
4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783943
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide (CID 176830881) is N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide is Cc1cc(C)c(Oc2nc(-n3cnc(C)c3)ccc2NS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is WPMJKJRZRJTPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-8-13(2)18(14(3)9-12)26-19-16(22-27(5,24)25)6-7-17(21-19)23-10-15(4)20-11-23/h6-11,22H,1-5H3.
What are the key properties of N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 176830881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).