N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide

C15H12FNO2S — CID 60803490

IUPACN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(F)cc1C#CCO
InChIInChI=1S/C15H12FNO2S/c16-13-3-4-14(12(9-13)2-1-6-18)17-15(19)8-11-5-7-20-10-11/h3-5,7,9-10,18H,6,8H2,(H,17,19)
InChIKeyHYKFOXQBQZGFAW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.41
Rot. Bonds3

About N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 60803490) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID60803490
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC NameN-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(F)cc1C#CCO
InChIInChI=1S/C15H12FNO2S/c16-13-3-4-14(12(9-13)2-1-6-18)17-15(19)8-11-5-7-20-10-11/h3-5,7,9-10,18H,6,8H2,(H,17,19)
InChIKeyHYKFOXQBQZGFAW-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853
2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60804365
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 54922451
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylsulfonylpropanamide
CID 104520912
2-methylpropyl N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 54922634
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4551993
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828189

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide (CID 60803490) is N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccc(F)cc1C#CCO.
What is the InChIKey of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is HYKFOXQBQZGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-13-3-4-14(12(9-13)2-1-6-18)17-15(19)8-11-5-7-20-10-11/h3-5,7,9-10,18H,6,8H2,(H,17,19).
What are the key properties of N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 289.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 60803490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).