2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C22H30N4O6S — CID 41022293

IUPAC2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N4O6S/c1-3-32-17-10-9-16(13-18(17)33(30,31)25-11-5-4-6-12-25)23-19(27)14-26-20(28)22(2,15-7-8-15)24-21(26)29/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,23,27)(H,24,29)/t22-/m1/s1
InChIKeyWXCTYZSRXORVKL-JOCHJYFZSA-N
MW478.57 g/mol
LogP1.92
Rot. Bonds8

About 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 41022293) has the molecular formula C22H30N4O6S and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID41022293
Molecular FormulaC22H30N4O6S
Molecular Weight478.57 g/mol
Exact Mass478.19
IUPAC Name2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H30N4O6S/c1-3-32-17-10-9-16(13-18(17)33(30,31)25-11-5-4-6-12-25)23-19(27)14-26-20(28)22(2,15-7-8-15)24-21(26)29/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,23,27)(H,24,29)/t22-/m1/s1
InChIKeyWXCTYZSRXORVKL-JOCHJYFZSA-N
XLogP1.92
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 155560182
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16544865
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 46510558
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 41022293) is 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WXCTYZSRXORVKL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N4O6S/c1-3-32-17-10-9-16(13-18(17)33(30,31)25-11-5-4-6-12-25)23-19(27)14-26-20(28)22(2,15-7-8-15)24-21(26)29/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,23,27)(H,24,29)/t22-/m1/s1.
What are the key properties of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 478.57 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 41022293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).