1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

C20H32N4O3S — CID 3367402

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2C(C)C)cc1
InChIInChI=1S/C20H32N4O3S/c1-16(2)20-23(19(25)15-22-11-9-21(4)10-12-22)13-14-24(20)28(26,27)18-7-5-17(3)6-8-18/h5-8,16,20H,9-15H2,1-4H3
InChIKeyVDZOOTXZSAROGS-UHFFFAOYSA-N
MW408.57 g/mol
LogP1.06
Rot. Bonds5

About 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 3367402) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID3367402
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2C(C)C)cc1
InChIInChI=1S/C20H32N4O3S/c1-16(2)20-23(19(25)15-22-11-9-21(4)10-12-22)13-14-24(20)28(26,27)18-7-5-17(3)6-8-18/h5-8,16,20H,9-15H2,1-4H3
InChIKeyVDZOOTXZSAROGS-UHFFFAOYSA-N
XLogP1.06
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 3367402) is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2C(C)C)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is VDZOOTXZSAROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-16(2)20-23(19(25)15-22-11-9-21(4)10-12-22)13-14-24(20)28(26,27)18-7-5-17(3)6-8-18/h5-8,16,20H,9-15H2,1-4H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 408.57 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3367402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).