4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide

C15H12N2O2S — CID 123300425

IUPAC4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide
SMILESNC(=O)c1c(O)csc1Nc1ccc2ccccc2c1
InChIInChI=1S/C15H12N2O2S/c16-14(19)13-12(18)8-20-15(13)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17-18H,(H2,16,19)
InChIKeyVASSASVZEUZKMV-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.45
Rot. Bonds3

About 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide

4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide (PubChem CID 123300425) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide
PubChem CID123300425
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide
SMILESNC(=O)c1c(O)csc1Nc1ccc2ccccc2c1
InChIInChI=1S/C15H12N2O2S/c16-14(19)13-12(18)8-20-15(13)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17-18H,(H2,16,19)
InChIKeyVASSASVZEUZKMV-UHFFFAOYSA-N
XLogP3.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylamino)benzamide
CID 70089831
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1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-pentacen-2-ylpentacen-2-amine
CID 91227915
4-(naphthalen-2-ylamino)-2-phenylbenzamide
CID 164543764
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
5-[[(Z)-3-chlorobut-2-enoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062264
1-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 65464637
CID 175042046
CID 175042046
2,2,3-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]butanamide
CID 90026443
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide
CID 174719025

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide?
The IUPAC name of 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide (CID 123300425) is 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide is NC(=O)c1c(O)csc1Nc1ccc2ccccc2c1.
What is the InChIKey of 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide?
The InChIKey is VASSASVZEUZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-14(19)13-12(18)8-20-15(13)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17-18H,(H2,16,19).
What are the key properties of 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide?
4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(naphthalen-2-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 123300425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).