N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C25H30N4OS — CID 17431599

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C25H30N4OS/c1-21-10-11-23(31-21)19-29(14-12-22-7-3-2-4-8-22)25(30)20-27-15-17-28(18-16-27)24-9-5-6-13-26-24/h2-11,13H,12,14-20H2,1H3
InChIKeyGGXHURKWFHEEDA-UHFFFAOYSA-N
MW434.61 g/mol
LogP3.85
Rot. Bonds8

About N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 17431599) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID17431599
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C25H30N4OS/c1-21-10-11-23(31-21)19-29(14-12-22-7-3-2-4-8-22)25(30)20-27-15-17-28(18-16-27)24-9-5-6-13-26-24/h2-11,13H,12,14-20H2,1H3
InChIKeyGGXHURKWFHEEDA-UHFFFAOYSA-N
XLogP3.85
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 17431599) is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GGXHURKWFHEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-21-10-11-23(31-21)19-29(14-12-22-7-3-2-4-8-22)25(30)20-27-15-17-28(18-16-27)24-9-5-6-13-26-24/h2-11,13H,12,14-20H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 434.61 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17431599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).