N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide

C17H18FNO2S — CID 71781710

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C17H18FNO2S/c18-14-7-3-12(4-8-14)10-16(20)19-11-17(21,13-5-6-13)15-2-1-9-22-15/h1-4,7-9,13,21H,5-6,10-11H2,(H,19,20)
InChIKeyKELQMIRILSAMKN-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.84
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide (PubChem CID 71781710) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide
PubChem CID71781710
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C17H18FNO2S/c18-14-7-3-12(4-8-14)10-16(20)19-11-17(21,13-5-6-13)15-2-1-9-22-15/h1-4,7-9,13,21H,5-6,10-11H2,(H,19,20)
InChIKeyKELQMIRILSAMKN-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide (CID 71781710) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is KELQMIRILSAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-7-3-12(4-8-14)10-16(20)19-11-17(21,13-5-6-13)15-2-1-9-22-15/h1-4,7-9,13,21H,5-6,10-11H2,(H,19,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71781710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).