ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate

C19H16ClNO4S — CID 139369808

IUPACethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate
SMILESCCOC(=O)Cc1csc2cc(OC3COc4ncccc43)cc(Cl)c12
InChIInChI=1S/C19H16ClNO4S/c1-2-23-17(22)6-11-10-26-16-8-12(7-14(20)18(11)16)25-15-9-24-19-13(15)4-3-5-21-19/h3-5,7-8,10,15H,2,6,9H2,1H3
InChIKeyYOWAYLALHZHWCP-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.57
Rot. Bonds5

About ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate

ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate (PubChem CID 139369808) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate
PubChem CID139369808
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Nameethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate
SMILESCCOC(=O)Cc1csc2cc(OC3COc4ncccc43)cc(Cl)c12
InChIInChI=1S/C19H16ClNO4S/c1-2-23-17(22)6-11-10-26-16-8-12(7-14(20)18(11)16)25-15-9-24-19-13(15)4-3-5-21-19/h3-5,7-8,10,15H,2,6,9H2,1H3
InChIKeyYOWAYLALHZHWCP-UHFFFAOYSA-N
XLogP4.57
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid
CID 139369885
ethyl 2-[4-chloro-6-[(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)oxy]-1-benzothiophen-3-yl]acetate
CID 139369915
2-[4,7-dichloro-6-[[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]oxy]-1-benzothiophen-3-yl]acetic acid
CID 139370380
2-[4-chloro-6-[[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]oxy]-1-benzothiophen-3-yl]acetic acid
CID 139369879
ethyl 2-(4-chloro-6-methoxy-1-benzothiophen-3-yl)acetate;ethyl 2-(6-chloro-4-methoxy-1-benzothiophen-3-yl)acetate
CID 158663223
2-[4-chloro-6-[[(5S)-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]oxy]-1-benzothiophen-3-yl]acetic acid
CID 139386579
2-(3,4-dichlorophenoxy)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239398
ethyl 2-[6-[(4-chloro-2,6-dimethyl-3-pyridinyl)methoxy]-1-benzothiophen-3-yl]acetate
CID 118667040
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239153
ethyl 2-[4,7-dichloro-6-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)oxy]-1-benzothiophen-3-yl]acetate
CID 160972320
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
CID 86137864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate?
The IUPAC name of ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate (CID 139369808) is ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate is CCOC(=O)Cc1csc2cc(OC3COc4ncccc43)cc(Cl)c12.
What is the InChIKey of ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate?
The InChIKey is YOWAYLALHZHWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-2-23-17(22)6-11-10-26-16-8-12(7-14(20)18(11)16)25-15-9-24-19-13(15)4-3-5-21-19/h3-5,7-8,10,15H,2,6,9H2,1H3.
What are the key properties of ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate?
ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate has a molecular weight of 389.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate is sourced from PubChem (CID 139369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).