2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate

C16H17Cl2NO4S — CID 54173996

IUPAC2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
SMILESO=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCCOCCO
InChIInChI=1S/C16H17Cl2NO4S/c17-12-2-1-3-13(18)16(12)19-14-10-24-9-11(14)8-15(21)23-7-6-22-5-4-20/h1-3,9-10,19-20H,4-8H2
InChIKeyOWZDDSVJSWNHMH-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.89
Rot. Bonds9

About 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate

2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate (PubChem CID 54173996) has the molecular formula C16H17Cl2NO4S and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
PubChem CID54173996
Molecular FormulaC16H17Cl2NO4S
Molecular Weight390.29 g/mol
Exact Mass389.03
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
SMILESO=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCCOCCO
InChIInChI=1S/C16H17Cl2NO4S/c17-12-2-1-3-13(18)16(12)19-14-10-24-9-11(14)8-15(21)23-7-6-22-5-4-20/h1-3,9-10,19-20H,4-8H2
InChIKeyOWZDDSVJSWNHMH-UHFFFAOYSA-N
XLogP3.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate 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

benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 57287670
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetamide
CID 23457236
1-[4-(2,6-dichloroanilino)thiophen-3-yl]propan-2-one
CID 20759454
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate
CID 70573562
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 162078878
2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 71558419
3-acetyloxypropyl 2-[4-(2-chloro-3-methylanilino)thiophen-3-yl]acetate
CID 70573815
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate (CID 54173996) is 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate is O=C(Cc1cscc1Nc1c(Cl)cccc1Cl)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
The InChIKey is OWZDDSVJSWNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4S/c17-12-2-1-3-13(18)16(12)19-14-10-24-9-11(14)8-15(21)23-7-6-22-5-4-20/h1-3,9-10,19-20H,4-8H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate?
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate has a molecular weight of 390.29 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate is sourced from PubChem (CID 54173996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).