6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C28H27N3O4S — CID 131989347

IUPAC6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(CCc3ccccc3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C28H27N3O4S/c1-19-17-20(2)26(21(3)18-19)35-28-24(27(32)31-36(33,34)25-11-7-8-16-29-25)15-14-23(30-28)13-12-22-9-5-4-6-10-22/h4-11,14-18H,12-13H2,1-3H3,(H,31,32)
InChIKeyMKPYFZLNPAAZIY-UHFFFAOYSA-N
MW501.61 g/mol
LogP5.10
Rot. Bonds8

About 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 131989347) has the molecular formula C28H27N3O4S and a molecular weight of 501.61 g/mol. Its IUPAC name is 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID131989347
Molecular FormulaC28H27N3O4S
Molecular Weight501.61 g/mol
Exact Mass501.17
IUPAC Name6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(CCc3ccccc3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C28H27N3O4S/c1-19-17-20(2)26(21(3)18-19)35-28-24(27(32)31-36(33,34)25-11-7-8-16-29-25)15-14-23(30-28)13-12-22-9-5-4-6-10-22/h4-11,14-18H,12-13H2,1-3H3,(H,31,32)
InChIKeyMKPYFZLNPAAZIY-UHFFFAOYSA-N
XLogP5.10
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[4-(methoxymethyl)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989340
6-[2-fluoro-5-(hydroxymethyl)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989400
N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989375
6-(1-propan-2-ylpyrazol-4-yl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989406
6-(4-chloro-3-propoxyphenyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989372
6-(2-fluoro-4-phenylmethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 158455278
N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251867
6-(4-ethylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 167572090
6-(3-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 162056645
6-[4-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 138545704
N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251198
6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 158748509

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 131989347) is 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(CCc3ccccc3)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is MKPYFZLNPAAZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S/c1-19-17-20(2)26(21(3)18-19)35-28-24(27(32)31-36(33,34)25-11-7-8-16-29-25)15-14-23(30-28)13-12-22-9-5-4-6-10-22/h4-11,14-18H,12-13H2,1-3H3,(H,31,32).
What are the key properties of 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 501.61 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 131989347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).