2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid

C20H19NO4S — CID 143992958

IUPAC2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid
SMILESCCSc1ccc(Oc2cc(CC(=O)O)cc3ccc(OC)cc23)nc1
InChIInChI=1S/C20H19NO4S/c1-3-26-16-6-7-19(21-12-16)25-18-9-13(10-20(22)23)8-14-4-5-15(24-2)11-17(14)18/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyZGSBPFABJMAOMI-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid

2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid (PubChem CID 143992958) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid
PubChem CID143992958
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid
SMILESCCSc1ccc(Oc2cc(CC(=O)O)cc3ccc(OC)cc23)nc1
InChIInChI=1S/C20H19NO4S/c1-3-26-16-6-7-19(21-12-16)25-18-9-13(10-20(22)23)8-14-4-5-15(24-2)11-17(14)18/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyZGSBPFABJMAOMI-UHFFFAOYSA-N
XLogP4.77
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-bromo-4-[(5-ethylsulfanyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid
CID 143992971
2-[6-chloro-4-(4-methylsulfanylphenoxy)naphthalen-2-yl]acetic acid
CID 143992994
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710
2-[2-ethyl-5-(4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879151
2-[4-(2-ethyl-4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91878983
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-[4-[(3-bromo-5-methylsulfonyl-2-pyridinyl)oxy]-6-fluoronaphthalen-2-yl]acetic acid
CID 59326524
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
2-[3-butoxy-5-[(6-phenoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 59820366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid (CID 143992958) is 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid is CCSc1ccc(Oc2cc(CC(=O)O)cc3ccc(OC)cc23)nc1.
What is the InChIKey of 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid?
The InChIKey is ZGSBPFABJMAOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-26-16-6-7-19(21-12-16)25-18-9-13(10-20(22)23)8-14-4-5-15(24-2)11-17(14)18/h4-9,11-12H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid?
2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid has a molecular weight of 369.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethylsulfanyl-2-pyridinyl)oxy]-6-methoxynaphthalen-2-yl]acetic acid is sourced from PubChem (CID 143992958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).