N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide

C15H16FNO2S — CID 110921883

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NCC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNO2S/c1-10-2-7-13(20-10)8-15(19)17-9-14(18)11-3-5-12(16)6-4-11/h2-7,14,18H,8-9H2,1H3,(H,17,19)
InChIKeyPPURSPFSUHYAEG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 110921883) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID110921883
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NCC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNO2S/c1-10-2-7-13(20-10)8-15(19)17-9-14(18)11-3-5-12(16)6-4-11/h2-7,14,18H,8-9H2,1H3,(H,17,19)
InChIKeyPPURSPFSUHYAEG-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 110888816
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
2-(2,5-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110910978
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
N-(2-amino-2-methylpropyl)-2-(5-methylthiophen-2-yl)acetamide
CID 119626700
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986560
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide (CID 110921883) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide is Cc1ccc(CC(=O)NCC(O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is PPURSPFSUHYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-2-7-13(20-10)8-15(19)17-9-14(18)11-3-5-12(16)6-4-11/h2-7,14,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 110921883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).