N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H22N4OS — CID 3630245

IUPACN-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H22N4OS/c1-24-16-7-3-2-6-15(16)20-18(23)14-21-10-12-22(13-11-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyIZBBVNCHJJLZNV-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.56
Rot. Bonds5

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

N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 3630245) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID3630245
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H22N4OS/c1-24-16-7-3-2-6-15(16)20-18(23)14-21-10-12-22(13-11-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyIZBBVNCHJJLZNV-UHFFFAOYSA-N
XLogP2.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 3630245) is N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CSc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is IZBBVNCHJJLZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-24-16-7-3-2-6-15(16)20-18(23)14-21-10-12-22(13-11-21)17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 342.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3630245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).