1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide

C17H22N4O5S — CID 32905464

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NN3CC(=O)NC3=O)CC2)cc1C
InChIInChI=1S/C17H22N4O5S/c1-11-3-4-14(9-12(11)2)27(25,26)20-7-5-13(6-8-20)16(23)19-21-10-15(22)18-17(21)24/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,23)(H,18,22,24)
InChIKeyODUGKZFHIFPNHJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP0.29
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide (PubChem CID 32905464) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
PubChem CID32905464
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NN3CC(=O)NC3=O)CC2)cc1C
InChIInChI=1S/C17H22N4O5S/c1-11-3-4-14(9-12(11)2)27(25,26)20-7-5-13(6-8-20)16(23)19-21-10-15(22)18-17(21)24/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,23)(H,18,22,24)
InChIKeyODUGKZFHIFPNHJ-UHFFFAOYSA-N
XLogP0.29
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide
CID 46462964
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212
1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119510988

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide (CID 32905464) is 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3CC(=O)NC3=O)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide?
The InChIKey is ODUGKZFHIFPNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-11-3-4-14(9-12(11)2)27(25,26)20-7-5-13(6-8-20)16(23)19-21-10-15(22)18-17(21)24/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,23)(H,18,22,24).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 32905464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).