N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide

C23H19ClN2O3S — CID 68758066

IUPACN-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2cc(Oc3ccc(Oc4nccs4)cc3Cl)ccc2c1
InChIInChI=1S/C23H19ClN2O3S/c1-15(27)25-9-8-16-2-3-18-13-19(5-4-17(18)12-16)28-22-7-6-20(14-21(22)24)29-23-26-10-11-30-23/h2-7,10-14H,8-9H2,1H3,(H,25,27)
InChIKeyTUDSLPVGMWQSEH-UHFFFAOYSA-N
MW438.94 g/mol
LogP6.21
Rot. Bonds7

About N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide

N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide (PubChem CID 68758066) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide
PubChem CID68758066
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2cc(Oc3ccc(Oc4nccs4)cc3Cl)ccc2c1
InChIInChI=1S/C23H19ClN2O3S/c1-15(27)25-9-8-16-2-3-18-13-19(5-4-17(18)12-16)28-22-7-6-20(14-21(22)24)29-23-26-10-11-30-23/h2-7,10-14H,8-9H2,1H3,(H,25,27)
InChIKeyTUDSLPVGMWQSEH-UHFFFAOYSA-N
XLogP6.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide (CID 68758066) is N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc2cc(Oc3ccc(Oc4nccs4)cc3Cl)ccc2c1.
What is the InChIKey of N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide?
The InChIKey is TUDSLPVGMWQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-15(27)25-9-8-16-2-3-18-13-19(5-4-17(18)12-16)28-22-7-6-20(14-21(22)24)29-23-26-10-11-30-23/h2-7,10-14H,8-9H2,1H3,(H,25,27).
What are the key properties of N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide?
N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-chloro-4-(1,3-thiazol-2-yloxy)phenoxy]naphthalen-2-yl]ethyl]acetamide is sourced from PubChem (CID 68758066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).