5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid

C12H11NO4S — CID 63615336

IUPAC5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2occc2C)s1
InChIInChI=1S/C12H11NO4S/c1-6-3-4-17-9(6)10(14)13-11-8(12(15)16)5-7(2)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyOZUITUYYVDBJGV-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.91
Rot. Bonds3

About 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63615336) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63615336
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2occc2C)s1
InChIInChI=1S/C12H11NO4S/c1-6-3-4-17-9(6)10(14)13-11-8(12(15)16)5-7(2)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyOZUITUYYVDBJGV-UHFFFAOYSA-N
XLogP2.91
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616313
2-[(2,5-dibromobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 114368033
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 63615336) is 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2occc2C)s1.
What is the InChIKey of 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is OZUITUYYVDBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-6-3-4-17-9(6)10(14)13-11-8(12(15)16)5-7(2)18-11/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63615336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).