N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C21H21FN4OS — CID 22332587

IUPACN-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H21FN4OS/c22-15-8-10-16(11-9-15)23-19(27)14-28-21-20(26-12-4-1-5-13-26)24-17-6-2-3-7-18(17)25-21/h2-3,6-11H,1,4-5,12-14H2,(H,23,27)
InChIKeyPGFVVHNJBLJVMX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.49
Rot. Bonds5

About N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332587) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332587
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC NameN-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H21FN4OS/c22-15-8-10-16(11-9-15)23-19(27)14-28-21-20(26-12-4-1-5-13-26)24-17-6-2-3-7-18(17)25-21/h2-3,6-11H,1,4-5,12-14H2,(H,23,27)
InChIKeyPGFVVHNJBLJVMX-UHFFFAOYSA-N
XLogP4.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332587) is N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2nc1N1CCCCC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PGFVVHNJBLJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-15-8-10-16(11-9-15)23-19(27)14-28-21-20(26-12-4-1-5-13-26)24-17-6-2-3-7-18(17)25-21/h2-3,6-11H,1,4-5,12-14H2,(H,23,27).
What are the key properties of N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 396.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).