N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C14H19N3O5S — CID 110719180

IUPACN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1C
InChIInChI=1S/C14H19N3O5S/c1-9-7-12(10(2)6-11(9)22-3)23(20,21)16-4-5-17-13(18)8-15-14(17)19/h6-7,16H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyQHEOPCAIVDZBQS-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.14
Rot. Bonds6

About N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110719180) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110719180
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1C
InChIInChI=1S/C14H19N3O5S/c1-9-7-12(10(2)6-11(9)22-3)23(20,21)16-4-5-17-13(18)8-15-14(17)19/h6-7,16H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyQHEOPCAIVDZBQS-UHFFFAOYSA-N
XLogP0.14
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 110719186
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
4-methoxy-2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516337

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 110719180) is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1C.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is QHEOPCAIVDZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-9-7-12(10(2)6-11(9)22-3)23(20,21)16-4-5-17-13(18)8-15-14(17)19/h6-7,16H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110719180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).