N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide

C18H22FNOS — CID 51966644

IUPACN-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
SMILESCCC(CC)[C@@H](NC(=O)Cc1ccccc1F)c1cccs1
InChIInChI=1S/C18H22FNOS/c1-3-13(4-2)18(16-10-7-11-22-16)20-17(21)12-14-8-5-6-9-15(14)19/h5-11,13,18H,3-4,12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyHCZHMWPVSMCRGK-GOSISDBHSA-N
MW319.44 g/mol
LogP4.72
Rot. Bonds7

About N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide

N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide (PubChem CID 51966644) has the molecular formula C18H22FNOS and a molecular weight of 319.44 g/mol. Its IUPAC name is N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
PubChem CID51966644
Molecular FormulaC18H22FNOS
Molecular Weight319.44 g/mol
Exact Mass319.14
IUPAC NameN-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
SMILESCCC(CC)[C@@H](NC(=O)Cc1ccccc1F)c1cccs1
InChIInChI=1S/C18H22FNOS/c1-3-13(4-2)18(16-10-7-11-22-16)20-17(21)12-14-8-5-6-9-15(14)19/h5-11,13,18H,3-4,12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyHCZHMWPVSMCRGK-GOSISDBHSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 55904162
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55903525
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24566759
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75513395

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide (CID 51966644) is N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide is CCC(CC)[C@@H](NC(=O)Cc1ccccc1F)c1cccs1.
What is the InChIKey of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is HCZHMWPVSMCRGK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22FNOS/c1-3-13(4-2)18(16-10-7-11-22-16)20-17(21)12-14-8-5-6-9-15(14)19/h5-11,13,18H,3-4,12H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide?
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 319.44 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 51966644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).