N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide

C17H16FNO2S — CID 58721788

IUPACN-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)[C@H](C)C#Cc1ccc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H16FNO2S/c1-12(19(21)13(2)20)3-8-16-9-10-17(22-16)11-14-4-6-15(18)7-5-14/h4-7,9-10,12,21H,11H2,1-2H3/t12-/m1/s1
InChIKeyDZBAFUQATXHFKO-GFCCVEGCSA-N
MW317.39 g/mol
LogP3.46
Rot. Bonds3

About N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide

N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide (PubChem CID 58721788) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide
PubChem CID58721788
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC NameN-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)[C@H](C)C#Cc1ccc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H16FNO2S/c1-12(19(21)13(2)20)3-8-16-9-10-17(22-16)11-14-4-6-15(18)7-5-14/h4-7,9-10,12,21H,11H2,1-2H3/t12-/m1/s1
InChIKeyDZBAFUQATXHFKO-GFCCVEGCSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-4-[5-[(4-fluorophenyl)methyl]-4-methylthiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
CID 54386525
1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea
CID 89098886
4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-2,4-dioxobutanoic acid
CID 510829
5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide
CID 123182132
[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-(5-hydroxy-4-methoxy-1-propan-2-ylpyrrol-3-yl)methanone
CID 91400158
2-amino-4-[5-[5-(4-fluorophenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol;but-2-enedioic acid
CID 69339258
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
3-bromo-4-(4-fluorophenyl)butan-2-one
CID 62395510
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122047013
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide?
The IUPAC name of N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide (CID 58721788) is N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide?
The canonical SMILES for N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide is CC(=O)N(O)[C@H](C)C#Cc1ccc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide?
The InChIKey is DZBAFUQATXHFKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-12(19(21)13(2)20)3-8-16-9-10-17(22-16)11-14-4-6-15(18)7-5-14/h4-7,9-10,12,21H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide?
N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide has a molecular weight of 317.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 58721788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).