2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

C15H16ClNO4S — CID 120516149

IUPAC2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C15H16ClNO4S/c1-21-5-4-17(8-15(19)20)14(18)6-10-9-22-13-3-2-11(16)7-12(10)13/h2-3,7,9H,4-6,8H2,1H3,(H,19,20)
InChIKeyDBHIPEGCSLDTSJ-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.66
Rot. Bonds7

About 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 120516149) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID120516149
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C15H16ClNO4S/c1-21-5-4-17(8-15(19)20)14(18)6-10-9-22-13-3-2-11(16)7-12(10)13/h2-3,7,9H,4-6,8H2,1H3,(H,19,20)
InChIKeyDBHIPEGCSLDTSJ-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]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

2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189587
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189003
2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
CID 61007679
2-[[2-(6,7-dichloro-1-benzofuran-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 167911518
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
2-[3-(4-bromothiophen-2-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119188912
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 120516149) is 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1csc2ccc(Cl)cc12.
What is the InChIKey of 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is DBHIPEGCSLDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-21-5-4-17(8-15(19)20)14(18)6-10-9-22-13-3-2-11(16)7-12(10)13/h2-3,7,9H,4-6,8H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 341.82 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 120516149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).