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

C26H28N2O3S — CID 44548557

IUPAC1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc(C)c(-c2cccc(C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(C)C)c2)c1
InChIInChI=1S/C26H28N2O3S/c1-18(2)28-25(17-27(26(28)29)32(30,31)23-11-6-5-7-12-23)22-10-8-9-21(16-22)24-15-19(3)13-14-20(24)4/h5-16,18,25H,17H2,1-4H3
InChIKeyURJUPNCTZBDPEC-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.55
Rot. Bonds5

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

1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 44548557) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID44548557
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc(C)c(-c2cccc(C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(C)C)c2)c1
InChIInChI=1S/C26H28N2O3S/c1-18(2)28-25(17-27(26(28)29)32(30,31)23-11-6-5-7-12-23)22-10-8-9-21(16-22)24-15-19(3)13-14-20(24)4/h5-16,18,25H,17H2,1-4H3
InChIKeyURJUPNCTZBDPEC-UHFFFAOYSA-N
XLogP5.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one (CID 44548557) is 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc(C)c(-c2cccc(C3CN(S(=O)(=O)c4ccccc4)C(=O)N3C(C)C)c2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is URJUPNCTZBDPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-18(2)28-25(17-27(26(28)29)32(30,31)23-11-6-5-7-12-23)22-10-8-9-21(16-22)24-15-19(3)13-14-20(24)4/h5-16,18,25H,17H2,1-4H3.
What are the key properties of 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 448.59 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[3-(2,5-dimethylphenyl)phenyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 44548557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).