N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide

C21H25N3O6S — CID 2884143

IUPACN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-16(25)14-24(15-9-11-17(30-3)12-10-15)31(28,29)18-7-5-4-6-8-18/h4-12,16,25H,13-14H2,1-3H3,(H,22,27)
InChIKeyOJGGRLOLPMGKMP-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.58
Rot. Bonds8

About N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide

N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2884143) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2884143
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-16(25)14-24(15-9-11-17(30-3)12-10-15)31(28,29)18-7-5-4-6-8-18/h4-12,16,25H,13-14H2,1-3H3,(H,22,27)
InChIKeyOJGGRLOLPMGKMP-UHFFFAOYSA-N
XLogP1.58
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-{[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl}phenyl)acetamide
CID 2965073
3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10736348
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 16031722
2-(4-Methoxy-benzenesulfonylamino)-N-phenyl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 649466
N-(2-cyclohex-1-enylethyl)-2-[(4-methoxyphenyl)(phenylsulfonyl)amino]acetamide
CID 1730435
N~1~-isobutyl-N~2~-(4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2249335
2-({[4-(acetylamino)phenyl]sulfonyl}-4-methoxyanilino)-N-(sec-butyl)acetamide
CID 2890313
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 2891038
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 3133091

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 2884143) is N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is OJGGRLOLPMGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-16(25)14-24(15-9-11-17(30-3)12-10-15)31(28,29)18-7-5-4-6-8-18/h4-12,16,25H,13-14H2,1-3H3,(H,22,27).
What are the key properties of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide?
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 447.51 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2884143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).