4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

C18H23N3O5S — CID 155567866

IUPAC4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C18H23N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyKWISBLIGSXXQRQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.25
Rot. Bonds5

About 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (PubChem CID 155567866) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
PubChem CID155567866
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)C2CCCCC2)C1=O
InChIInChI=1S/C18H23N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyKWISBLIGSXXQRQ-UHFFFAOYSA-N
XLogP1.25
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.25
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 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (CID 155567866) is 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)C2CCCCC2)C1=O.
What is the InChIKey of 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The InChIKey is KWISBLIGSXXQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,20,24)(H2,19,25,26).
What are the key properties of 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclohexyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155567866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).