2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide

C15H17FN2O2S — CID 90496245

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide
SMILESCn1cccc1C(O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18-8-2-3-13(18)14(19)9-17-15(20)10-21-12-6-4-11(16)5-7-12/h2-8,14,19H,9-10H2,1H3,(H,17,20)
InChIKeyIWBYPCYKMGIPPJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.11
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide (PubChem CID 90496245) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide
PubChem CID90496245
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide
SMILESCn1cccc1C(O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18-8-2-3-13(18)14(19)9-17-15(20)10-21-12-6-4-11(16)5-7-12/h2-8,14,19H,9-10H2,1H3,(H,17,20)
InChIKeyIWBYPCYKMGIPPJ-UHFFFAOYSA-N
XLogP2.11
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide (CID 90496245) is 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide is Cn1cccc1C(O)CNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide?
The InChIKey is IWBYPCYKMGIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-18-8-2-3-13(18)14(19)9-17-15(20)10-21-12-6-4-11(16)5-7-12/h2-8,14,19H,9-10H2,1H3,(H,17,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]acetamide is sourced from PubChem (CID 90496245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).