2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate

C18H22ClNO4S — CID 70573562

IUPAC2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate
SMILESCc1cccc(Nc2c(CC(=O)OCCOCCO)csc2Cl)c1C
InChIInChI=1S/C18H22ClNO4S/c1-12-4-3-5-15(13(12)2)20-17-14(11-25-18(17)19)10-16(22)24-9-8-23-7-6-21/h3-5,11,20-21H,6-10H2,1-2H3
InChIKeyZZCXDLSQCBMTLB-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.86
Rot. Bonds9

About 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate

2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate (PubChem CID 70573562) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate
PubChem CID70573562
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate
SMILESCc1cccc(Nc2c(CC(=O)OCCOCCO)csc2Cl)c1C
InChIInChI=1S/C18H22ClNO4S/c1-12-4-3-5-15(13(12)2)20-17-14(11-25-18(17)19)10-16(22)24-9-8-23-7-6-21/h3-5,11,20-21H,6-10H2,1-2H3
InChIKeyZZCXDLSQCBMTLB-UHFFFAOYSA-N
XLogP3.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
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-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633220
3-acetyloxypropyl 2-[4-(2-chloro-3-methylanilino)thiophen-3-yl]acetate
CID 70573815
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-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate (CID 70573562) is 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate is Cc1cccc(Nc2c(CC(=O)OCCOCCO)csc2Cl)c1C.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate?
The InChIKey is ZZCXDLSQCBMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-12-4-3-5-15(13(12)2)20-17-14(11-25-18(17)19)10-16(22)24-9-8-23-7-6-21/h3-5,11,20-21H,6-10H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate?
2-(2-hydroxyethoxy)ethyl 2-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate has a molecular weight of 383.90 g/mol, XLogP of 3.86, 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-[5-chloro-4-(2,3-dimethylanilino)thiophen-3-yl]acetate is sourced from PubChem (CID 70573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).