2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C17H21N3O5S — CID 97264927

IUPAC2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N3O5S/c21-15(18-13-7-9-26(24,25)11-13)10-14-16(22)20(17(23)19-14)8-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,21)(H,19,23)/t13-,14+/m1/s1
InChIKeyLOCCVQZFPLNAFB-KGLIPLIRSA-N
MW379.44 g/mol
LogP-0.16
Rot. Bonds6

About 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 97264927) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID97264927
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H21N3O5S/c21-15(18-13-7-9-26(24,25)11-13)10-14-16(22)20(17(23)19-14)8-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,21)(H,19,23)/t13-,14+/m1/s1
InChIKeyLOCCVQZFPLNAFB-KGLIPLIRSA-N
XLogP-0.16
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 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-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 75488694
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489298
N-(1,1-dioxothiolan-3-yl)-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488695
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 75490912
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
N-(1,1-dioxothiolan-3-yl)-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 102564371
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 97496369
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6601813
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 97426251

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 97264927) is 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is LOCCVQZFPLNAFB-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H21N3O5S/c21-15(18-13-7-9-26(24,25)11-13)10-14-16(22)20(17(23)19-14)8-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,21)(H,19,23)/t13-,14+/m1/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 97264927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).