2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid

C12H10N2O5S — CID 43357386

IUPAC2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
SMILESO=C(CNC(=O)c1ccco1)Nc1sccc1C(=O)O
InChIInChI=1S/C12H10N2O5S/c15-9(6-13-10(16)8-2-1-4-19-8)14-11-7(12(17)18)3-5-20-11/h1-5H,6H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyDCJQPOGLGGLZIL-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.41
Rot. Bonds5

About 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid

2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 43357386) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
PubChem CID43357386
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
SMILESO=C(CNC(=O)c1ccco1)Nc1sccc1C(=O)O
InChIInChI=1S/C12H10N2O5S/c15-9(6-13-10(16)8-2-1-4-19-8)14-11-7(12(17)18)3-5-20-11/h1-5H,6H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyDCJQPOGLGGLZIL-UHFFFAOYSA-N
XLogP1.41
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63615187
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667
3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528451
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 17413529
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 7831360

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid (CID 43357386) is 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid is O=C(CNC(=O)c1ccco1)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is DCJQPOGLGGLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-9(6-13-10(16)8-2-1-4-19-8)14-11-7(12(17)18)3-5-20-11/h1-5H,6H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid?
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).