3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid

C20H19NO4S — CID 24765202

IUPAC3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCCCc1ccc2cc(O)ccc2c1)Nc1ccsc1C(=O)O
InChIInChI=1S/C20H19NO4S/c22-16-8-7-14-11-13(5-6-15(14)12-16)3-1-2-4-18(23)21-17-9-10-26-19(17)20(24)25/h5-12,22H,1-4H2,(H,21,23)(H,24,25)
InChIKeyIKABNMGIGJQMBS-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.66
Rot. Bonds7

About 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid

3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid (PubChem CID 24765202) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid
PubChem CID24765202
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCCCc1ccc2cc(O)ccc2c1)Nc1ccsc1C(=O)O
InChIInChI=1S/C20H19NO4S/c22-16-8-7-14-11-13(5-6-15(14)12-16)3-1-2-4-18(23)21-17-9-10-26-19(17)20(24)25/h5-12,22H,1-4H2,(H,21,23)(H,24,25)
InChIKeyIKABNMGIGJQMBS-UHFFFAOYSA-N
XLogP4.66
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid
CID 24765200
methane;5-naphthalen-2-ylpentanoic acid;3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid;3-naphthalen-2-ylpropanal;(E)-3-naphthalen-2-ylprop-2-enoic acid
CID 161047569
3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid
CID 71767585
3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 62367247
methyl 2-[3-(6-hydroxynaphthalen-2-yl)propanoylamino]cyclohexene-1-carboxylate
CID 69090806
2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
CID 61405789
10-naphthalen-2-yldecanoic acid
CID 21478009
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid (CID 24765202) is 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid is O=C(CCCCc1ccc2cc(O)ccc2c1)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid?
The InChIKey is IKABNMGIGJQMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c22-16-8-7-14-11-13(5-6-15(14)12-16)3-1-2-4-18(23)21-17-9-10-26-19(17)20(24)25/h5-12,22H,1-4H2,(H,21,23)(H,24,25).
What are the key properties of 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid?
3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 24765202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).