2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

C16H21FN2O3S — CID 4544261

IUPAC2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H21FN2O3S/c1-11(20)19-15(10-23-14-6-4-12(17)5-7-14)16(21)18-9-13-3-2-8-22-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyRZJICTSCKUBXKX-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.72
Rot. Bonds7

About 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 4544261) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID4544261
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H21FN2O3S/c1-11(20)19-15(10-23-14-6-4-12(17)5-7-14)16(21)18-9-13-3-2-8-22-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyRZJICTSCKUBXKX-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CID 4544261) is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RZJICTSCKUBXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-11(20)19-15(10-23-14-6-4-12(17)5-7-14)16(21)18-9-13-3-2-8-22-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 340.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 4544261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).