2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid

C11H15NO4S — CID 79457347

IUPAC2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
SMILESCCc1ccsc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-2-8-3-6-17-10(8)11(15)12-4-5-16-7-9(13)14/h3,6H,2,4-5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyJMHBOYRKCKDLDP-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.14
Rot. Bonds7

About 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid

2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457347) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457347
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
SMILESCCc1ccsc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-2-8-3-6-17-10(8)11(15)12-4-5-16-7-9(13)14/h3,6H,2,4-5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyJMHBOYRKCKDLDP-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 115700346
2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
CID 63913393
N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
CID 107847427
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
N-(3-chloro-4-methoxybutyl)-3-ethylthiophene-2-carboxamide
CID 106243561
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115628193
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid (CID 79457347) is 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid is CCc1ccsc1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is JMHBOYRKCKDLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-8-3-6-17-10(8)11(15)12-4-5-16-7-9(13)14/h3,6H,2,4-5,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).