2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate

C16H16ClNO4S — CID 31741424

IUPAC2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1cccs1)OCCOc1ccccc1Cl
InChIInChI=1S/C16H16ClNO4S/c17-12-4-1-2-5-13(12)21-9-10-22-15(19)7-8-18-16(20)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,20)
InChIKeyOAISOOOZEVSYRY-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.14
Rot. Bonds8

About 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate

2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate (PubChem CID 31741424) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
PubChem CID31741424
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1cccs1)OCCOc1ccccc1Cl
InChIInChI=1S/C16H16ClNO4S/c17-12-4-1-2-5-13(12)21-9-10-22-15(19)7-8-18-16(20)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,20)
InChIKeyOAISOOOZEVSYRY-UHFFFAOYSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18119353
3-(thiophene-2-carbonylamino)propyl 4-(2,4-dichlorophenoxy)butanoate
CID 84559146
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)propanoate
CID 46630076
N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide
CID 55675242
[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027103
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 35294378
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 87033433

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate (CID 31741424) is 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate is O=C(CCNC(=O)c1cccs1)OCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate?
The InChIKey is OAISOOOZEVSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c17-12-4-1-2-5-13(12)21-9-10-22-15(19)7-8-18-16(20)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,20).
What are the key properties of 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate?
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate has a molecular weight of 353.83 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 31741424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).