6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C26H30N2O5S — CID 121251189

IUPAC6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(C)(C)C)nc1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C26H30N2O5S/c1-16-14-17(2)23(18(3)15-16)33-25-19(12-13-22(27-25)26(4,5)6)24(29)28-34(30,31)21-11-9-8-10-20(21)32-7/h8-15H,1-7H3,(H,28,29)
InChIKeyLSFOSMNFSKWWOJ-UHFFFAOYSA-N
MW482.60 g/mol
LogP5.22
Rot. Bonds6

About 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251189) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251189
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(C)(C)C)nc1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C26H30N2O5S/c1-16-14-17(2)23(18(3)15-16)33-25-19(12-13-22(27-25)26(4,5)6)24(29)28-34(30,31)21-11-9-8-10-20(21)32-7/h8-15H,1-7H3,(H,28,29)
InChIKeyLSFOSMNFSKWWOJ-UHFFFAOYSA-N
XLogP5.22
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252343
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,6-dimethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252901
N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide
CID 121251557
N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251867
6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 161121379
6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 138545759
6-(2-tert-butylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 167644811
6-(2,5-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 159977051
6-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 158748509
6-(4-chlorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250493
6-[4-(methoxymethyl)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989340
6-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 167559771

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251189) is 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)c1ccc(C(C)(C)C)nc1Oc1c(C)cc(C)cc1C.
What is the InChIKey of 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is LSFOSMNFSKWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-16-14-17(2)23(18(3)15-16)33-25-19(12-13-22(27-25)26(4,5)6)24(29)28-34(30,31)21-11-9-8-10-20(21)32-7/h8-15H,1-7H3,(H,28,29).
What are the key properties of 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(2-methoxyphenyl)sulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).