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

C12H11NO4S — CID 114915122

IUPAC4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)Nc2c(C)csc2C(=O)O)co1
InChIInChI=1S/C12H11NO4S/c1-6-5-18-10(12(15)16)9(6)13-11(14)8-3-7(2)17-4-8/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyKNBOANUMVHQQMC-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid

4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 114915122) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID114915122
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)Nc2c(C)csc2C(=O)O)co1
InChIInChI=1S/C12H11NO4S/c1-6-5-18-10(12(15)16)9(6)13-11(14)8-3-7(2)17-4-8/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyKNBOANUMVHQQMC-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

3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
3-[(3-fluoro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914898
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914626
3-[(2-hydroxy-5-iodobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 107731465
methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916262
5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 114818831
4-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114915095
3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid (CID 114915122) is 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(C(=O)Nc2c(C)csc2C(=O)O)co1.
What is the InChIKey of 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is KNBOANUMVHQQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-6-5-18-10(12(15)16)9(6)13-11(14)8-3-7(2)17-4-8/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid?
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-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 4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 114915122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).