1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one

C25H32N4O4S — CID 25028147

IUPAC1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(C)C)CC2)c1
InChIInChI=1S/C25H32N4O4S/c1-18(2)29-23(17-28(25(29)31)34(32,33)21-8-6-5-7-9-21)24(30)27-14-12-26(13-15-27)22-16-19(3)10-11-20(22)4/h5-11,16,18,23H,12-15,17H2,1-4H3
InChIKeyCTKRIFFOGNJZPO-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.86
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one

1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 25028147) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID25028147
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(C)C)CC2)c1
InChIInChI=1S/C25H32N4O4S/c1-18(2)29-23(17-28(25(29)31)34(32,33)21-8-6-5-7-9-21)24(30)27-14-12-26(13-15-27)22-16-19(3)10-11-20(22)4/h5-11,16,18,23H,12-15,17H2,1-4H3
InChIKeyCTKRIFFOGNJZPO-UHFFFAOYSA-N
XLogP2.86
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-(2,4-difluorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one
CID 67141119
4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-2-one
CID 25030244
(4S)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-2-one
CID 67140734
3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one
CID 25027713
3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one
CID 67140925
[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 68719992
[4-(4-chlorophenyl)sulfonyl-1-phenylpiperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 25185336
N-[(2S)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]benzenesulfonamide
CID 67141128
[4-(3-chlorophenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 25185064
1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 44548557
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
1-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 136515730

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one (CID 25028147) is 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(C)C)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is CTKRIFFOGNJZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-18(2)29-23(17-28(25(29)31)34(32,33)21-8-6-5-7-9-21)24(30)27-14-12-26(13-15-27)22-16-19(3)10-11-20(22)4/h5-11,16,18,23H,12-15,17H2,1-4H3.
What are the key properties of 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one?
1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 484.62 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 25028147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).