[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C20H21N3O5S — CID 8956923

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)NCCc2cccs2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-20(14-6-3-2-4-7-14)18(26)23(19(27)22-20)12-17(25)28-13-16(24)21-10-9-15-8-5-11-29-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,27)/t20-/m0/s1
InChIKeyVSPBOFRXNHFSEO-FQEVSTJZSA-N
MW415.47 g/mol
LogP1.42
Rot. Bonds8

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 8956923) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID8956923
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)NCCc2cccs2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-20(14-6-3-2-4-7-14)18(26)23(19(27)22-20)12-17(25)28-13-16(24)21-10-9-15-8-5-11-29-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,27)/t20-/m0/s1
InChIKeyVSPBOFRXNHFSEO-FQEVSTJZSA-N
XLogP1.42
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.42
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

[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708470
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685076
(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708910
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55384387
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708935
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711003
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708970
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 24520490
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721677
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
(2-oxo-2-piperidin-1-ylethyl) 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709372

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 8956923) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)NCCc2cccs2)C1=O.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is VSPBOFRXNHFSEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-20(14-6-3-2-4-7-14)18(26)23(19(27)22-20)12-17(25)28-13-16(24)21-10-9-15-8-5-11-29-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,27)/t20-/m0/s1.
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 415.47 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 8956923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).