4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid

C11H15NO3S — CID 69256754

IUPAC4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid
SMILESCCCCC(=O)Nc1c(C)csc1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-3-4-5-8(13)12-9-7(2)6-16-10(9)11(14)15/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHLNPVNQYPNSJIA-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.88
Rot. Bonds5

About 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid

4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid (PubChem CID 69256754) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid
PubChem CID69256754
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid
SMILESCCCCC(=O)Nc1c(C)csc1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-3-4-5-8(13)12-9-7(2)6-16-10(9)11(14)15/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHLNPVNQYPNSJIA-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(acetylamino)-2-methyl-3-thiophenecarboxylate
CID 2808345
3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid
CID 1485385
3-(Benzoylamino)-2-thiophenecarboxylic acid
CID 2764129
Methyl 3-[(cyclohexylcarbonyl)amino]-4-methyl-2-thiophenecarboxylate
CID 3811641
3-[(4-Fluorobenzoyl)amino]-4-methyl-2-thiophenecarboxylic acid
CID 3820940
4-{[2-(Methoxycarbonyl)-4-methyl-3-thienyl]amino}-4-oxobut-2-enoic acid
CID 5899215
methyl 5-oxo-4H-thieno[3,2-b]pyridine-3-carboxylate
CID 49831021
Methyl 3-(((2RS)-2-bromopropanoyl)amino)-4-methylthiophene-2-carboxylate
CID 71587940
Methyl 3-(2-chloropropanamido)-4-methylthiophene-2-carboxylate
CID 597267
3-Acetamidothiophene-2-carboxylic acid
CID 2807579
3-(Carboxyformamido)-4-methylthiophene-2-carboxylic acid
CID 11746409
3-Amino-4-methylthiophene-2-carboxylic acid
CID 14989678

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid (CID 69256754) is 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid is CCCCC(=O)Nc1c(C)csc1C(=O)O.
What is the InChIKey of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
The InChIKey is HLNPVNQYPNSJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-4-5-8(13)12-9-7(2)6-16-10(9)11(14)15/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 69256754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).