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

C15H17NO3S2 — CID 43356574

IUPAC3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCCCc1cc(C(=O)Nc2cc(C)c(C(=O)O)s2)sc1C
InChIInChI=1S/C15H17NO3S2/c1-4-5-10-7-11(20-9(10)3)14(17)16-12-6-8(2)13(21-12)15(18)19/h6-7H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAXKFGOBGWPQURM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.33
Rot. Bonds5

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

3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43356574) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43356574
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCCCc1cc(C(=O)Nc2cc(C)c(C(=O)O)s2)sc1C
InChIInChI=1S/C15H17NO3S2/c1-4-5-10-7-11(20-9(10)3)14(17)16-12-6-8(2)13(21-12)15(18)19/h6-7H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAXKFGOBGWPQURM-UHFFFAOYSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 43356574) is 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid is CCCc1cc(C(=O)Nc2cc(C)c(C(=O)O)s2)sc1C.
What is the InChIKey of 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is AXKFGOBGWPQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-4-5-10-7-11(20-9(10)3)14(17)16-12-6-8(2)13(21-12)15(18)19/h6-7H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 323.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43356574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).