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

C19H30N4O3S — CID 649504

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H30N4O3S/c1-16-7-9-23(10-8-16)27(25,26)18-5-3-17(4-6-18)20-19(24)15-22-13-11-21(2)12-14-22/h3-6,16H,7-15H2,1-2H3,(H,20,24)
InChIKeyABHAGRUWWMIGGT-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.29
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 649504) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID649504
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H30N4O3S/c1-16-7-9-23(10-8-16)27(25,26)18-5-3-17(4-6-18)20-19(24)15-22-13-11-21(2)12-14-22/h3-6,16H,7-15H2,1-2H3,(H,20,24)
InChIKeyABHAGRUWWMIGGT-UHFFFAOYSA-N
XLogP1.29
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 649504) is 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is ABHAGRUWWMIGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-16-7-9-23(10-8-16)27(25,26)18-5-3-17(4-6-18)20-19(24)15-22-13-11-21(2)12-14-22/h3-6,16H,7-15H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 649504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).