[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone

C26H29N3O3S — CID 3405086

IUPAC[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-19-5-9-22(10-6-19)26(30)28-17-18-29(33(31,32)24-15-7-20(2)8-16-24)25(28)21-11-13-23(14-12-21)27(3)4/h5-16,25H,17-18H2,1-4H3
InChIKeyJRMOMIUMKHPYPZ-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.21
Rot. Bonds5

About [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone

[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 3405086) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID3405086
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-19-5-9-22(10-6-19)26(30)28-17-18-29(33(31,32)24-15-7-20(2)8-16-24)25(28)21-11-13-23(14-12-21)27(3)4/h5-16,25H,17-18H2,1-4H3
InChIKeyJRMOMIUMKHPYPZ-UHFFFAOYSA-N
XLogP4.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone (CID 3405086) is [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is JRMOMIUMKHPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-19-5-9-22(10-6-19)26(30)28-17-18-29(33(31,32)24-15-7-20(2)8-16-24)25(28)21-11-13-23(14-12-21)27(3)4/h5-16,25H,17-18H2,1-4H3.
What are the key properties of [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
[2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 463.60 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 3405086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).