2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C15H21N3O3S — CID 28581004

IUPAC2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)C[C@H]1NC(=O)N(CC(=O)NCCc2cccs2)C1=O
InChIInChI=1S/C15H21N3O3S/c1-10(2)8-12-14(20)18(15(21)17-12)9-13(19)16-6-5-11-4-3-7-22-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,19)(H,17,21)/t12-/m1/s1
InChIKeyBTBDMBNVELCKHI-GFCCVEGCSA-N
MW323.42 g/mol
LogP1.37
Rot. Bonds7

About 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 28581004) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID28581004
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)C[C@H]1NC(=O)N(CC(=O)NCCc2cccs2)C1=O
InChIInChI=1S/C15H21N3O3S/c1-10(2)8-12-14(20)18(15(21)17-12)9-13(19)16-6-5-11-4-3-7-22-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,19)(H,17,21)/t12-/m1/s1
InChIKeyBTBDMBNVELCKHI-GFCCVEGCSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42898325
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 51535849
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2604804
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8949115
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037603
N-(4-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4877686
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880154
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24605906
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110686509
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112774928

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 28581004) is 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is CC(C)C[C@H]1NC(=O)N(CC(=O)NCCc2cccs2)C1=O.
What is the InChIKey of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is BTBDMBNVELCKHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10(2)8-12-14(20)18(15(21)17-12)9-13(19)16-6-5-11-4-3-7-22-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,16,19)(H,17,21)/t12-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 28581004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).