3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid

C20H19NO3S — CID 24765200

IUPAC3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid
SMILESO=C(CCCCc1ccc2ccccc2c1)Nc1ccsc1C(=O)O
InChIInChI=1S/C20H19NO3S/c22-18(21-17-11-12-25-19(17)20(23)24)8-4-1-5-14-9-10-15-6-2-3-7-16(15)13-14/h2-3,6-7,9-13H,1,4-5,8H2,(H,21,22)(H,23,24)
InChIKeyDUGWOHCQJDUXFG-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.95
Rot. Bonds7

About 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid

3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid (PubChem CID 24765200) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid
PubChem CID24765200
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid
SMILESO=C(CCCCc1ccc2ccccc2c1)Nc1ccsc1C(=O)O
InChIInChI=1S/C20H19NO3S/c22-18(21-17-11-12-25-19(17)20(23)24)8-4-1-5-14-9-10-15-6-2-3-7-16(15)13-14/h2-3,6-7,9-13H,1,4-5,8H2,(H,21,22)(H,23,24)
InChIKeyDUGWOHCQJDUXFG-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(6-hydroxynaphthalen-2-yl)pentanoylamino]thiophene-2-carboxylic acid
CID 24765202
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
10-naphthalen-2-yldecanoic acid
CID 21478009
3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 62367247
4-methyl-2-[1-(4-naphthalen-2-ylbutanoylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537665
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
CID 146620003
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326

Frequently Asked Questions

What is the IUPAC name of 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid (CID 24765200) is 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid is O=C(CCCCc1ccc2ccccc2c1)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid?
The InChIKey is DUGWOHCQJDUXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-18(21-17-11-12-25-19(17)20(23)24)8-4-1-5-14-9-10-15-6-2-3-7-16(15)13-14/h2-3,6-7,9-13H,1,4-5,8H2,(H,21,22)(H,23,24).
What are the key properties of 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid?
3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 24765200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).