2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate

C11H15NO4S — CID 86913899

IUPAC2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
SMILESCOCCOC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C11H15NO4S/c1-15-5-6-16-10(13)2-4-12-11(14)9-3-7-17-8-9/h3,7-8H,2,4-6H2,1H3,(H,12,14)
InChIKeyOPAWZSUWGRCHSM-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.06
Rot. Bonds7

About 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate

2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate (PubChem CID 86913899) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
PubChem CID86913899
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
SMILESCOCCOC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C11H15NO4S/c1-15-5-6-16-10(13)2-4-12-11(14)9-3-7-17-8-9/h3,7-8H,2,4-6H2,1H3,(H,12,14)
InChIKeyOPAWZSUWGRCHSM-UHFFFAOYSA-N
XLogP1.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.06
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-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 115772753
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
(2-ethoxyphenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
CID 46816863
(4-nitrophenyl)methyl 3-(thiophene-3-carbonylamino)propanoate
CID 39954497
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
CID 61224315
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 46609486
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate?
The IUPAC name of 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate (CID 86913899) is 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate?
The canonical SMILES for 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate is COCCOC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate?
The InChIKey is OPAWZSUWGRCHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-15-5-6-16-10(13)2-4-12-11(14)9-3-7-17-8-9/h3,7-8H,2,4-6H2,1H3,(H,12,14).
What are the key properties of 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate?
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate has a molecular weight of 257.31 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate is sourced from PubChem (CID 86913899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).