2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide

C16H21FN2O2S — CID 3425414

IUPAC2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21FN2O2S/c1-11(20)18-15(16(21)19-13-4-2-3-5-13)10-22-14-8-6-12(17)7-9-14/h6-9,13,15H,2-5,10H2,1H3,(H,18,20)(H,19,21)
InChIKeySNMXIHZGHZINAN-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.48
Rot. Bonds6

About 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide

2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 3425414) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID3425414
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H21FN2O2S/c1-11(20)18-15(16(21)19-13-4-2-3-5-13)10-22-14-8-6-12(17)7-9-14/h6-9,13,15H,2-5,10H2,1H3,(H,18,20)(H,19,21)
InChIKeySNMXIHZGHZINAN-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide (CID 3425414) is 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NC1CCCC1.
What is the InChIKey of 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is SNMXIHZGHZINAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-11(20)18-15(16(21)19-13-4-2-3-5-13)10-22-14-8-6-12(17)7-9-14/h6-9,13,15H,2-5,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide?
2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclopentyl-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3425414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).