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

C17H18FNO2S2 — CID 71781727

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C17H18FNO2S2/c18-13-5-7-14(8-6-13)23-10-16(20)19-11-17(21,12-3-4-12)15-2-1-9-22-15/h1-2,5-9,12,21H,3-4,10-11H2,(H,19,20)
InChIKeyGCBJZWRKFYKWQA-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.39
Rot. Bonds7

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

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 71781727) has the molecular formula C17H18FNO2S2 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID71781727
Molecular FormulaC17H18FNO2S2
Molecular Weight351.47 g/mol
Exact Mass351.08
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C17H18FNO2S2/c18-13-5-7-14(8-6-13)23-10-16(20)19-11-17(21,12-3-4-12)15-2-1-9-22-15/h1-2,5-9,12,21H,3-4,10-11H2,(H,19,20)
InChIKeyGCBJZWRKFYKWQA-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 99873674
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781980
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 99873672
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
CID 90497186
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 71781727) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is GCBJZWRKFYKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S2/c18-13-5-7-14(8-6-13)23-10-16(20)19-11-17(21,12-3-4-12)15-2-1-9-22-15/h1-2,5-9,12,21H,3-4,10-11H2,(H,19,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 351.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 71781727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).