1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one

C20H30N4O4S — CID 9367747

IUPAC1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCNC3=O)CC2)c(C)c1C
InChIInChI=1S/C20H30N4O4S/c1-13-14(2)16(4)19(17(5)15(13)3)29(27,28)23-10-8-22(9-11-23)12-18(25)24-7-6-21-20(24)26/h6-12H2,1-5H3,(H,21,26)
InChIKeyPXEMNZGQFYXQBH-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.09
Rot. Bonds4

About 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one

1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 9367747) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
PubChem CID9367747
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCNC3=O)CC2)c(C)c1C
InChIInChI=1S/C20H30N4O4S/c1-13-14(2)16(4)19(17(5)15(13)3)29(27,28)23-10-8-22(9-11-23)12-18(25)24-7-6-21-20(24)26/h6-12H2,1-5H3,(H,21,26)
InChIKeyPXEMNZGQFYXQBH-UHFFFAOYSA-N
XLogP1.09
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one
CID 9450840
1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
CID 8747738
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 32711265
1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19682857
methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate
CID 78983614
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 80552515
ethyl N-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9367695
N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843449
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9221068
1-butanoylimidazolidin-2-one
CID 12771230

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one (CID 9367747) is 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one is Cc1c(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCNC3=O)CC2)c(C)c1C.
What is the InChIKey of 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is PXEMNZGQFYXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-13-14(2)16(4)19(17(5)15(13)3)29(27,28)23-10-8-22(9-11-23)12-18(25)24-7-6-21-20(24)26/h6-12H2,1-5H3,(H,21,26).
What are the key properties of 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 422.55 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9367747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).