2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C20H25N3O5S — CID 1094291

IUPAC2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-22-11-13-23(14-12-22)29(25,26)19-9-3-16(4-10-19)21-20(24)15-28-18-7-5-17(27-2)6-8-18/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyKRKCCRPGHKZOQN-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.65
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1094291) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID1094291
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-22-11-13-23(14-12-22)29(25,26)19-9-3-16(4-10-19)21-20(24)15-28-18-7-5-17(27-2)6-8-18/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyKRKCCRPGHKZOQN-UHFFFAOYSA-N
XLogP1.65
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 1094291) is 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is KRKCCRPGHKZOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-22-11-13-23(14-12-22)29(25,26)19-9-3-16(4-10-19)21-20(24)15-28-18-7-5-17(27-2)6-8-18/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1094291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).