ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate

C18H20N2O5S — CID 39268520

IUPACethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1
InChIInChI=1S/C18H20N2O5S/c1-2-24-17(22)11-25-15-5-3-4-14(10-15)20-16(21)6-8-19-18(23)13-7-9-26-12-13/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,19,23)(H,20,21)
InChIKeyGHANLSZHXKPVIM-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.45
Rot. Bonds9

About ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate

ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate (PubChem CID 39268520) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate
PubChem CID39268520
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1
InChIInChI=1S/C18H20N2O5S/c1-2-24-17(22)11-25-15-5-3-4-14(10-15)20-16(21)6-8-19-18(23)13-7-9-26-12-13/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,19,23)(H,20,21)
InChIKeyGHANLSZHXKPVIM-UHFFFAOYSA-N
XLogP2.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
ethyl 2-[3-(2-iodoethylcarbamoyl)phenoxy]acetate
CID 129027228
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
CID 46816863
ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
CID 55706670
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
ethyl 2-[3-[3-(5-chloro-2-methoxyanilino)propanoylamino]phenoxy]acetate
CID 47824982
N-[4-[4-(2-amino-2-oxoethoxy)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 55566722
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
CID 39268528
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate (CID 39268520) is ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1.
What is the InChIKey of ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate?
The InChIKey is GHANLSZHXKPVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-24-17(22)11-25-15-5-3-4-14(10-15)20-16(21)6-8-19-18(23)13-7-9-26-12-13/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H,19,23)(H,20,21).
What are the key properties of ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate?
ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate has a molecular weight of 376.43 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 39268520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).