4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide

C19H25N3O6S — CID 121156681

IUPAC4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C19H25N3O6S/c1-3-21(4-2)29(26,27)16-7-5-14(6-8-16)18(24)20-11-9-15(10-12-20)22-17(23)13-28-19(22)25/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyHEFXSQDAGRKIGS-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.30
Rot. Bonds6

About 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide

4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide (PubChem CID 121156681) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
PubChem CID121156681
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1
InChIInChI=1S/C19H25N3O6S/c1-3-21(4-2)29(26,27)16-7-5-14(6-8-16)18(24)20-11-9-15(10-12-20)22-17(23)13-28-19(22)25/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyHEFXSQDAGRKIGS-UHFFFAOYSA-N
XLogP1.30
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide with MolForge

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Related Compounds

3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156494
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113
4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 122279277
N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37478178
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 124850656
1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987670
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156715
4-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 122274818
N-[3-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 121156567

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide (CID 121156681) is 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1.
What is the InChIKey of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is HEFXSQDAGRKIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-3-21(4-2)29(26,27)16-7-5-14(6-8-16)18(24)20-11-9-15(10-12-20)22-17(23)13-28-19(22)25/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide?
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 121156681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).