N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide

C12H15N3O3S — CID 110722163

IUPACN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCC1NC(=O)NC1=O
InChIInChI=1S/C12H15N3O3S/c16-10(4-3-8-2-1-7-19-8)13-6-5-9-11(17)15-12(18)14-9/h1-2,7,9H,3-6H2,(H,13,16)(H2,14,15,17,18)
InChIKeyXDZCYRSGSWTENN-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110722163) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110722163
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCC1NC(=O)NC1=O
InChIInChI=1S/C12H15N3O3S/c16-10(4-3-8-2-1-7-19-8)13-6-5-9-11(17)15-12(18)14-9/h1-2,7,9H,3-6H2,(H,13,16)(H2,14,15,17,18)
InChIKeyXDZCYRSGSWTENN-UHFFFAOYSA-N
XLogP0.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110730223
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
CID 110722106
2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 110722163) is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCCC1NC(=O)NC1=O.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is XDZCYRSGSWTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-10(4-3-8-2-1-7-19-8)13-6-5-9-11(17)15-12(18)14-9/h1-2,7,9H,3-6H2,(H,13,16)(H2,14,15,17,18).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 281.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110722163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).