5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid

C13H14N2O4S — CID 114608677

IUPAC5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESCOCCn1cccc1C(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H14N2O4S/c1-19-8-7-15-6-2-3-9(15)12(16)14-11-5-4-10(20-11)13(17)18/h2-6H,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyNHMIHCYHTLXYLZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.15
Rot. Bonds6

About 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid

5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid (PubChem CID 114608677) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
PubChem CID114608677
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESCOCCn1cccc1C(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H14N2O4S/c1-19-8-7-15-6-2-3-9(15)12(16)14-11-5-4-10(20-11)13(17)18/h2-6H,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyNHMIHCYHTLXYLZ-UHFFFAOYSA-N
XLogP2.15
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43639320
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608879
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
N-(6-bromo-2-pyridinyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609182
1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693607
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220
N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107595875

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid (CID 114608677) is 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid is COCCn1cccc1C(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid?
The InChIKey is NHMIHCYHTLXYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-19-8-7-15-6-2-3-9(15)12(16)14-11-5-4-10(20-11)13(17)18/h2-6H,7-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid?
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 114608677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).