2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone

C26H27N3O5S — CID 159444382

IUPAC2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone
SMILESCc1cc(C)c(Oc2nc(C3=CCCCO3)ccc2C(=O)CS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)34-26-19(10-11-20(28-26)22-7-4-5-12-33-22)21(30)15-35(31,32)24-9-6-8-23(27)29-24/h6-11,13-14H,4-5,12,15H2,1-3H3,(H2,27,29)
InChIKeyLSOSKOBQSLUIGW-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.58
Rot. Bonds7

About 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone

2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone (PubChem CID 159444382) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone
PubChem CID159444382
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone
SMILESCc1cc(C)c(Oc2nc(C3=CCCCO3)ccc2C(=O)CS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)34-26-19(10-11-20(28-26)22-7-4-5-12-33-22)21(30)15-35(31,32)24-9-6-8-23(27)29-24/h6-11,13-14H,4-5,12,15H2,1-3H3,(H2,27,29)
InChIKeyLSOSKOBQSLUIGW-UHFFFAOYSA-N
XLogP4.58
TPSA121.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone (CID 159444382) is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone is Cc1cc(C)c(Oc2nc(C3=CCCCO3)ccc2C(=O)CS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone?
The InChIKey is LSOSKOBQSLUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)34-26-19(10-11-20(28-26)22-7-4-5-12-33-22)21(30)15-35(31,32)24-9-6-8-23(27)29-24/h6-11,13-14H,4-5,12,15H2,1-3H3,(H2,27,29).
What are the key properties of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone?
2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone has a molecular weight of 493.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-(3,4-dihydro-2H-pyran-6-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 159444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).