2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid

C13H12N2O5S — CID 63615187

IUPAC2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)CNC(=O)c2ccco2)s1
InChIInChI=1S/C13H12N2O5S/c1-7-5-8(13(18)19)12(21-7)15-10(16)6-14-11(17)9-3-2-4-20-9/h2-5H,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyUZEVNYVEYKYVAY-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.72
Rot. Bonds5

About 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid

2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 63615187) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid
PubChem CID63615187
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)CNC(=O)c2ccco2)s1
InChIInChI=1S/C13H12N2O5S/c1-7-5-8(13(18)19)12(21-7)15-10(16)6-14-11(17)9-3-2-4-20-9/h2-5H,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyUZEVNYVEYKYVAY-UHFFFAOYSA-N
XLogP1.72
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528451
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615336
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63616145
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid (CID 63615187) is 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)CNC(=O)c2ccco2)s1.
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is UZEVNYVEYKYVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-7-5-8(13(18)19)12(21-7)15-10(16)6-14-11(17)9-3-2-4-20-9/h2-5H,6H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid?
2-[[2-(furan-2-carbonylamino)acetyl]amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 1.72, 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]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63615187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).