N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide

C20H26N4O6S — CID 75479437

IUPACN-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CN2C(=O)NC(C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1
InChIInChI=1S/C20H26N4O6S/c1-20(14-4-6-15(7-5-14)31(3,29)30)18(27)24(19(28)22-20)12-16(25)23-10-8-13(9-11-23)17(26)21-2/h4-7,13H,8-12H2,1-3H3,(H,21,26)(H,22,28)
InChIKeyDESUJCPOOYQHJT-UHFFFAOYSA-N
MW450.52 g/mol
LogP-0.16
Rot. Bonds5

About N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide

N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 75479437) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID75479437
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC NameN-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CN2C(=O)NC(C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1
InChIInChI=1S/C20H26N4O6S/c1-20(14-4-6-15(7-5-14)31(3,29)30)18(27)24(19(28)22-20)12-16(25)23-10-8-13(9-11-23)17(26)21-2/h4-7,13H,8-12H2,1-3H3,(H,21,26)(H,22,28)
InChIKeyDESUJCPOOYQHJT-UHFFFAOYSA-N
XLogP-0.16
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]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

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
4-[1-(2-cyclopropyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155527664
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
ethyl 1-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 18074238
(5R)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802517
5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 18285720
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
CID 49063610
(5S)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178688

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide (CID 75479437) is N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CN2C(=O)NC(C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1.
What is the InChIKey of N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is DESUJCPOOYQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-20(14-4-6-15(7-5-14)31(3,29)30)18(27)24(19(28)22-20)12-16(25)23-10-8-13(9-11-23)17(26)21-2/h4-7,13H,8-12H2,1-3H3,(H,21,26)(H,22,28).
What are the key properties of N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide?
N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 450.52 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 75479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).