2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol

C24H26N2O2S — CID 137290718

IUPAC2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
SMILESCCSc1ccc(-c2cc(NCC3CCCO3)nc(-c3ccccc3O)c2)cc1
InChIInChI=1S/C24H26N2O2S/c1-2-29-20-11-9-17(10-12-20)18-14-22(21-7-3-4-8-23(21)27)26-24(15-18)25-16-19-6-5-13-28-19/h3-4,7-12,14-15,19,27H,2,5-6,13,16H2,1H3,(H,25,26)
InChIKeyCACXDXHSUCKSJU-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.82
Rot. Bonds7

About 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol

2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol (PubChem CID 137290718) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
PubChem CID137290718
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
SMILESCCSc1ccc(-c2cc(NCC3CCCO3)nc(-c3ccccc3O)c2)cc1
InChIInChI=1S/C24H26N2O2S/c1-2-29-20-11-9-17(10-12-20)18-14-22(21-7-3-4-8-23(21)27)26-24(15-18)25-16-19-6-5-13-28-19/h3-4,7-12,14-15,19,27H,2,5-6,13,16H2,1H3,(H,25,26)
InChIKeyCACXDXHSUCKSJU-UHFFFAOYSA-N
XLogP5.82
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol
CID 136890725
2-[4-(2-chloro-6-fluorophenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-5-methoxyphenol
CID 137307091
4-[4-(5-ethylthiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-2-methoxyphenol
CID 137290520
3-[4-(3-methyl-1-benzothiophen-2-yl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
CID 134089054
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 135619804
3-(2-hydroxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 135936097
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880607
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533
2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 135905109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol (CID 137290718) is 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol is CCSc1ccc(-c2cc(NCC3CCCO3)nc(-c3ccccc3O)c2)cc1.
What is the InChIKey of 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol?
The InChIKey is CACXDXHSUCKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-2-29-20-11-9-17(10-12-20)18-14-22(21-7-3-4-8-23(21)27)26-24(15-18)25-16-19-6-5-13-28-19/h3-4,7-12,14-15,19,27H,2,5-6,13,16H2,1H3,(H,25,26).
What are the key properties of 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol?
2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol has a molecular weight of 406.55 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol is sourced from PubChem (CID 137290718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).