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

C17H12ClNO4S — CID 139369885

IUPAC2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid
SMILESO=C(O)Cc1csc2cc(OC3COc4ncccc43)cc(Cl)c12
InChIInChI=1S/C17H12ClNO4S/c18-12-5-10(6-14-16(12)9(8-24-14)4-15(20)21)23-13-7-22-17-11(13)2-1-3-19-17/h1-3,5-6,8,13H,4,7H2,(H,20,21)
InChIKeyVFUJXCLNTNRZMS-UHFFFAOYSA-N
MW361.81 g/mol
LogP4.09
Rot. Bonds4

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

2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid (PubChem CID 139369885) has the molecular formula C17H12ClNO4S and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid
PubChem CID139369885
Molecular FormulaC17H12ClNO4S
Molecular Weight361.81 g/mol
Exact Mass361.02
IUPAC Name2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid
SMILESO=C(O)Cc1csc2cc(OC3COc4ncccc43)cc(Cl)c12
InChIInChI=1S/C17H12ClNO4S/c18-12-5-10(6-14-16(12)9(8-24-14)4-15(20)21)23-13-7-22-17-11(13)2-1-3-19-17/h1-3,5-6,8,13H,4,7H2,(H,20,21)
InChIKeyVFUJXCLNTNRZMS-UHFFFAOYSA-N
XLogP4.09
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetate
CID 139369808
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
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-[4-chloro-6-[[(5S)-2-isocyano-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]oxy]-1-benzothiophen-3-yl]acetic acid
CID 164812139
2,3-dihydrofuro[2,3-b]pyridin-3-yl hydrogen carbonate
CID 118588931
[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl] hydrogen carbonate
CID 118588745
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-(3,4-dichlorophenoxy)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239398
2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate
CID 118588868
2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239312
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239153

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid?
The IUPAC name of 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid (CID 139369885) is 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid is O=C(O)Cc1csc2cc(OC3COc4ncccc43)cc(Cl)c12.
What is the InChIKey of 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid?
The InChIKey is VFUJXCLNTNRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4S/c18-12-5-10(6-14-16(12)9(8-24-14)4-15(20)21)23-13-7-22-17-11(13)2-1-3-19-17/h1-3,5-6,8,13H,4,7H2,(H,20,21).
What are the key properties of 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid?
2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid has a molecular weight of 361.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(2,3-dihydrofuro[2,3-b]pyridin-3-yloxy)-1-benzothiophen-3-yl]acetic acid is sourced from PubChem (CID 139369885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).