N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide

C17H25FN2OS — CID 99969880

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCSCc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2OS/c1-20-9-6-14(7-10-20)12-17(21)19-8-11-22-13-15-4-2-3-5-16(15)18/h2-5,14H,6-13H2,1H3,(H,19,21)
InChIKeyHWXJFWCGKOQQOU-UHFFFAOYSA-N
MW324.46 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99969880) has the molecular formula C17H25FN2OS and a molecular weight of 324.46 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID99969880
Molecular FormulaC17H25FN2OS
Molecular Weight324.46 g/mol
Exact Mass324.17
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCSCc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2OS/c1-20-9-6-14(7-10-20)12-17(21)19-8-11-22-13-15-4-2-3-5-16(15)18/h2-5,14H,6-13H2,1H3,(H,19,21)
InChIKeyHWXJFWCGKOQQOU-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875423
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969993
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935568
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
1-(benzenesulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 92535844
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-N-methylbenzamide
CID 55567664
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969982
1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933179
4-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxybutanamide
CID 120587259
1-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 132650320

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide (CID 99969880) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)NCCSCc2ccccc2F)CC1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is HWXJFWCGKOQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OS/c1-20-9-6-14(7-10-20)12-17(21)19-8-11-22-13-15-4-2-3-5-16(15)18/h2-5,14H,6-13H2,1H3,(H,19,21).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 324.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99969880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).