N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide

C14H18FN3O2S — CID 39161773

IUPACN-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCNCC1)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2S/c15-11-1-3-12(4-2-11)17-13(19)9-21-10-14(20)18-7-5-16-6-8-18/h1-4,16H,5-10H2,(H,17,19)
InChIKeyHIQXQHBZOTZDOA-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.93
Rot. Bonds5

About N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide

N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide (PubChem CID 39161773) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
PubChem CID39161773
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCNCC1)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2S/c15-11-1-3-12(4-2-11)17-13(19)9-21-10-14(20)18-7-5-16-6-8-18/h1-4,16H,5-10H2,(H,17,19)
InChIKeyHIQXQHBZOTZDOA-UHFFFAOYSA-N
XLogP0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39162201
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 9254916
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55376747
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 51143754
N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55845235
N-(4-fluorophenyl)-2-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55956049
2-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 55656628
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9165511
1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974982

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide (CID 39161773) is N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCNCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide?
The InChIKey is HIQXQHBZOTZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c15-11-1-3-12(4-2-11)17-13(19)9-21-10-14(20)18-7-5-16-6-8-18/h1-4,16H,5-10H2,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide has a molecular weight of 311.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 39161773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).