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

C22H27N3O5S — CID 3649208

IUPACN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-15-5-9-17(10-6-15)25(31(29,30)19-11-7-16(2)8-12-19)14-18(26)13-24-20(27)22(3,4)23-21(24)28/h5-12,18,26H,13-14H2,1-4H3,(H,23,28)
InChIKeyIZPRAKDROYCAJQ-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.19
Rot. Bonds7

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

N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 3649208) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID3649208
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-15-5-9-17(10-6-15)25(31(29,30)19-11-7-16(2)8-12-19)14-18(26)13-24-20(27)22(3,4)23-21(24)28/h5-12,18,26H,13-14H2,1-4H3,(H,23,28)
InChIKeyIZPRAKDROYCAJQ-UHFFFAOYSA-N
XLogP2.19
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 3649208) is N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is IZPRAKDROYCAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15-5-9-17(10-6-15)25(31(29,30)19-11-7-16(2)8-12-19)14-18(26)13-24-20(27)22(3,4)23-21(24)28/h5-12,18,26H,13-14H2,1-4H3,(H,23,28).
What are the key properties of N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3649208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).