2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C17H21N3O5S — CID 9294828

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C17H21N3O5S/c1-2-17(13-6-4-3-5-7-13)15(22)20(16(23)18-17)19-14(21)10-12-8-9-26(24,25)11-12/h3-7,12H,2,8-11H2,1H3,(H,18,23)(H,19,21)/t12-,17+/m1/s1
InChIKeyQTVOOVGZCIQRJC-PXAZEXFGSA-N
MW379.44 g/mol
LogP0.70
Rot. Bonds5

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 9294828) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID9294828
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C17H21N3O5S/c1-2-17(13-6-4-3-5-7-13)15(22)20(16(23)18-17)19-14(21)10-12-8-9-26(24,25)11-12/h3-7,12H,2,8-11H2,1H3,(H,18,23)(H,19,21)/t12-,17+/m1/s1
InChIKeyQTVOOVGZCIQRJC-PXAZEXFGSA-N
XLogP0.70
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.70
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

3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931716
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197116
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide
CID 52528557
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
benzyl-ethyl-[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8564244
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 124839039
N-[1-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55851050
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24556938

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 9294828) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[C@H]2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is QTVOOVGZCIQRJC-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-2-17(13-6-4-3-5-7-13)15(22)20(16(23)18-17)19-14(21)10-12-8-9-26(24,25)11-12/h3-7,12H,2,8-11H2,1H3,(H,18,23)(H,19,21)/t12-,17+/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 9294828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).