5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid

C11H9NO4S — CID 16773361

IUPAC5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccoc2)sc1C(=O)O
InChIInChI=1S/C11H9NO4S/c1-6-4-8(17-9(6)11(14)15)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyWPIYYSGPEDFHBW-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.60
Rot. Bonds3

About 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid

5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid (PubChem CID 16773361) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
PubChem CID16773361
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccoc2)sc1C(=O)O
InChIInChI=1S/C11H9NO4S/c1-6-4-8(17-9(6)11(14)15)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyWPIYYSGPEDFHBW-UHFFFAOYSA-N
XLogP2.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356648
5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16792115
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 103116399
5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid (CID 16773361) is 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccoc2)sc1C(=O)O.
What is the InChIKey of 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid?
The InChIKey is WPIYYSGPEDFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c1-6-4-8(17-9(6)11(14)15)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid?
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16773361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).