2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid

C11H16N2O5S — CID 63114663

IUPAC2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCOCCOCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-17-5-6-18-4-3-12-11(16)13-9-8(10(14)15)2-7-19-9/h2,7H,3-6H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyNROGHBBTENKDPN-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.23
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid

2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114663) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114663
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCOCCOCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-17-5-6-18-4-3-12-11(16)13-9-8(10(14)15)2-7-19-9/h2,7H,3-6H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyNROGHBBTENKDPN-UHFFFAOYSA-N
XLogP1.23
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113875
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114576
2-(2-carbamoyloxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 83203568
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]thiophene-3-carboxylic acid
CID 63113877
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
2-[[(E)-pent-3-enyl]carbamoylamino]thiophene-3-carboxylic acid
CID 113465789
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
CID 107318257
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106049277

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid (CID 63114663) is 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid is COCCOCCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is NROGHBBTENKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-5-6-18-4-3-12-11(16)13-9-8(10(14)15)2-7-19-9/h2,7H,3-6H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid?
2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylcarbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).