2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

C20H23N3O5S — CID 51563263

IUPAC2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O5S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)21-18(24)12-23-19(25)17(22-20(23)26)9-10-29(2,27)28/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,24)(H,22,26)/t13-,17+/m0/s1
InChIKeyFTXCDDZVRDXJQS-SUMWQHHRSA-N
MW417.49 g/mol
LogP1.37
Rot. Bonds7

About 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (PubChem CID 51563263) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
PubChem CID51563263
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O5S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)21-18(24)12-23-19(25)17(22-20(23)26)9-10-29(2,27)28/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,24)(H,22,26)/t13-,17+/m0/s1
InChIKeyFTXCDDZVRDXJQS-SUMWQHHRSA-N
XLogP1.37
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.37
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

2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30551491
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24605906
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
CID 9166115
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 51865412
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112774928
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26017425
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 92786827

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The IUPAC name of 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (CID 51563263) is 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is C[C@H](NC(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The InChIKey is FTXCDDZVRDXJQS-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)21-18(24)12-23-19(25)17(22-20(23)26)9-10-29(2,27)28/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,24)(H,22,26)/t13-,17+/m0/s1.
What are the key properties of 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 51563263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).