3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid

C13H12N2O4S2 — CID 114914937

IUPAC3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(C)csc2C(=O)O)s1
InChIInChI=1S/C13H12N2O4S2/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-3-4-9(21-8)14-7(2)16/h3-5H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyZWLFYQRBHOULAF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.03
Rot. Bonds4

About 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid

3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914937) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914937
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(C)csc2C(=O)O)s1
InChIInChI=1S/C13H12N2O4S2/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-3-4-9(21-8)14-7(2)16/h3-5H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyZWLFYQRBHOULAF-UHFFFAOYSA-N
XLogP3.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid (CID 114914937) is 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid is CC(=O)Nc1ccc(C(=O)Nc2c(C)csc2C(=O)O)s1.
What is the InChIKey of 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is ZWLFYQRBHOULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-6-5-20-11(13(18)19)10(6)15-12(17)8-3-4-9(21-8)14-7(2)16/h3-5H,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).