5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide

C20H21N3O4S — CID 166233908

IUPAC5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide
SMILESCc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H21N3O4S/c1-14-7-10-17(11-18(14)28(26,27)21-16-8-9-16)23-19(24)13-22(20(23)25)12-15-5-3-2-4-6-15/h2-7,10-11,16,21H,8-9,12-13H2,1H3
InChIKeyORLWHYVZQPHJTH-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.40
Rot. Bonds6

About 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide

5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide (PubChem CID 166233908) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide
PubChem CID166233908
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide
SMILESCc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H21N3O4S/c1-14-7-10-17(11-18(14)28(26,27)21-16-8-9-16)23-19(24)13-22(20(23)25)12-15-5-3-2-4-6-15/h2-7,10-11,16,21H,8-9,12-13H2,1H3
InChIKeyORLWHYVZQPHJTH-UHFFFAOYSA-N
XLogP2.40
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide
CID 166233909
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
5-[[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 98226805
N-cycloheptyl-5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 46296241
5-[[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 98296100
5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
CID 2812716
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide (CID 166233908) is 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide is Cc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide?
The InChIKey is ORLWHYVZQPHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-7-10-17(11-18(14)28(26,27)21-16-8-9-16)23-19(24)13-22(20(23)25)12-15-5-3-2-4-6-15/h2-7,10-11,16,21H,8-9,12-13H2,1H3.
What are the key properties of 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide?
5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 166233908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).