N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide

C19H20FNO2S — CID 71788774

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C19H20FNO2S/c20-16-8-10-17(11-9-16)24-12-18(22)21-13-19(23,15-6-7-15)14-4-2-1-3-5-14/h1-5,8-11,15,23H,6-7,12-13H2,(H,21,22)
InChIKeyUVPZPOQQRUHNPO-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.33
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 71788774) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID71788774
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C19H20FNO2S/c20-16-8-10-17(11-9-16)24-12-18(22)21-13-19(23,15-6-7-15)14-4-2-1-3-5-14/h1-5,8-11,15,23H,6-7,12-13H2,(H,21,22)
InChIKeyUVPZPOQQRUHNPO-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.33
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-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 71788774) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is UVPZPOQQRUHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c20-16-8-10-17(11-9-16)24-12-18(22)21-13-19(23,15-6-7-15)14-4-2-1-3-5-14/h1-5,8-11,15,23H,6-7,12-13H2,(H,21,22).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.33, 7 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-phenylethyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 71788774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).