2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C19H22N4O3S — CID 8769723

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCCN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1cccs1
InChIInChI=1S/C19H22N4O3S/c1-3-22(12-15-10-7-11-27-15)13-16(24)21-23-17(25)19(2,20-18(23)26)14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,26)(H,21,24)/t19-/m1/s1
InChIKeyUEDJPHBNABLADO-LJQANCHMSA-N
MW386.48 g/mol
LogP2.07
Rot. Bonds7

About 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 8769723) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID8769723
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCCN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1cccs1
InChIInChI=1S/C19H22N4O3S/c1-3-22(12-15-10-7-11-27-15)13-16(24)21-23-17(25)19(2,20-18(23)26)14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,26)(H,21,24)/t19-/m1/s1
InChIKeyUEDJPHBNABLADO-LJQANCHMSA-N
XLogP2.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.07
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

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 46650156
2-[furan-2-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8619208
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40919131
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 124742901
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8924194
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30006239
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 8769723) is 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1cccs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is UEDJPHBNABLADO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-22(12-15-10-7-11-27-15)13-16(24)21-23-17(25)19(2,20-18(23)26)14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,26)(H,21,24)/t19-/m1/s1.
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8769723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).