2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide

C17H24FN3O2S — CID 3355434

IUPAC2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCN1CCCC1
InChIInChI=1S/C17H24FN3O2S/c1-13(22)20-16(12-24-15-6-4-14(18)5-7-15)17(23)19-8-11-21-9-2-3-10-21/h4-7,16H,2-3,8-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyHSAXQHXBAIHPJA-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.63
Rot. Bonds8

About 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide

2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 3355434) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID3355434
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCN1CCCC1
InChIInChI=1S/C17H24FN3O2S/c1-13(22)20-16(12-24-15-6-4-14(18)5-7-15)17(23)19-8-11-21-9-2-3-10-21/h4-7,16H,2-3,8-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyHSAXQHXBAIHPJA-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.63
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-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 3355434) is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is HSAXQHXBAIHPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-13(22)20-16(12-24-15-6-4-14(18)5-7-15)17(23)19-8-11-21-9-2-3-10-21/h4-7,16H,2-3,8-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 353.46 g/mol, XLogP of 1.63, 8 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-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 3355434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).