N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H24N4OS — CID 3070508

IUPACN-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCSc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4OS/c1-25-17-7-5-16(6-8-17)21-19(24)9-11-22-12-14-23(15-13-22)18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24)
InChIKeyGUWLHBGNZVSJCJ-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.95
Rot. Bonds6

About N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 3070508) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID3070508
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCSc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4OS/c1-25-17-7-5-16(6-8-17)21-19(24)9-11-22-12-14-23(15-13-22)18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24)
InChIKeyGUWLHBGNZVSJCJ-UHFFFAOYSA-N
XLogP2.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 3070508) is N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CSc1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is GUWLHBGNZVSJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-25-17-7-5-16(6-8-17)21-19(24)9-11-22-12-14-23(15-13-22)18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24).
What are the key properties of N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 356.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3070508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).