N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide

C15H21N3O4S — CID 75498380

IUPACN-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
SMILESCCCC1NC(=O)N(Cc2ccc(NS(=O)(=O)CC)cc2)C1=O
InChIInChI=1S/C15H21N3O4S/c1-3-5-13-14(19)18(15(20)16-13)10-11-6-8-12(9-7-11)17-23(21,22)4-2/h6-9,13,17H,3-5,10H2,1-2H3,(H,16,20)
InChIKeySPIOQLAXFQUBMO-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.67
Rot. Bonds7

About N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide

N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 75498380) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
PubChem CID75498380
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
SMILESCCCC1NC(=O)N(Cc2ccc(NS(=O)(=O)CC)cc2)C1=O
InChIInChI=1S/C15H21N3O4S/c1-3-5-13-14(19)18(15(20)16-13)10-11-6-8-12(9-7-11)17-23(21,22)4-2/h6-9,13,17H,3-5,10H2,1-2H3,(H,16,20)
InChIKeySPIOQLAXFQUBMO-UHFFFAOYSA-N
XLogP1.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide 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 N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide (CID 75498380) is N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide is CCCC1NC(=O)N(Cc2ccc(NS(=O)(=O)CC)cc2)C1=O.
What is the InChIKey of N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide?
The InChIKey is SPIOQLAXFQUBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-5-13-14(19)18(15(20)16-13)10-11-6-8-12(9-7-11)17-23(21,22)4-2/h6-9,13,17H,3-5,10H2,1-2H3,(H,16,20).
What are the key properties of N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide?
N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 75498380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).