5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid

C14H13NO4S — CID 43474524

IUPAC5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCc1ccccc1O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C14H13NO4S/c16-10-4-2-1-3-9(10)5-7-12(17)15-13-8-6-11(20-13)14(18)19/h1-4,6,8,16H,5,7H2,(H,15,17)(H,18,19)
InChIKeyCVIQABWQPCLQND-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.72
Rot. Bonds5

About 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid

5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid (PubChem CID 43474524) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid
PubChem CID43474524
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCc1ccccc1O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C14H13NO4S/c16-10-4-2-1-3-9(10)5-7-12(17)15-13-8-6-11(20-13)14(18)19/h1-4,6,8,16H,5,7H2,(H,15,17)(H,18,19)
InChIKeyCVIQABWQPCLQND-UHFFFAOYSA-N
XLogP2.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474464
5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474341
5-[3-(2-oxo-1-pyridinyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474600
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
3-(2-hydroxyphenyl)-N-(4-iodophenyl)propanamide
CID 29404443
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
N-(2,2-diphenylethyl)-3-(2-hydroxyphenyl)propanamide
CID 38638784
3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370206
3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid (CID 43474524) is 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid is O=C(CCc1ccccc1O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
The InChIKey is CVIQABWQPCLQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-10-4-2-1-3-9(10)5-7-12(17)15-13-8-6-11(20-13)14(18)19/h1-4,6,8,16H,5,7H2,(H,15,17)(H,18,19).
What are the key properties of 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid?
5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).