2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide

C25H34N4O4S — CID 4840607

IUPAC2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C25H34N4O4S/c1-20-7-6-8-21(17-20)33-19-25(30)26-23-18-22(34(31,32)29-11-4-3-5-12-29)9-10-24(23)28-15-13-27(2)14-16-28/h6-10,17-18H,3-5,11-16,19H2,1-2H3,(H,26,30)
InChIKeyJJUWCOGINQCIMU-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.94
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide

2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide (PubChem CID 4840607) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
PubChem CID4840607
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C25H34N4O4S/c1-20-7-6-8-21(17-20)33-19-25(30)26-23-18-22(34(31,32)29-11-4-3-5-12-29)9-10-24(23)28-15-13-27(2)14-16-28/h6-10,17-18H,3-5,11-16,19H2,1-2H3,(H,26,30)
InChIKeyJJUWCOGINQCIMU-UHFFFAOYSA-N
XLogP2.94
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide (CID 4840607) is 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide is Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
The InChIKey is JJUWCOGINQCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-20-7-6-8-21(17-20)33-19-25(30)26-23-18-22(34(31,32)29-11-4-3-5-12-29)9-10-24(23)28-15-13-27(2)14-16-28/h6-10,17-18H,3-5,11-16,19H2,1-2H3,(H,26,30).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide?
2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide has a molecular weight of 486.64 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide is sourced from PubChem (CID 4840607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).