N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide

C15H19N3O5S — CID 154775356

IUPACN-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C15H19N3O5S/c1-10(9-23-2)16-12(19)8-18-14(21)13(20)17(15(18)22)6-5-11-4-3-7-24-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyTZHQRAQMXAUIEN-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.23
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide (PubChem CID 154775356) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
PubChem CID154775356
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C15H19N3O5S/c1-10(9-23-2)16-12(19)8-18-14(21)13(20)17(15(18)22)6-5-11-4-3-7-24-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyTZHQRAQMXAUIEN-UHFFFAOYSA-N
XLogP0.23
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium
CID 9317969
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9398358
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8627160
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide (CID 154775356) is N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide is COCC(C)NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is TZHQRAQMXAUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-10(9-23-2)16-12(19)8-18-14(21)13(20)17(15(18)22)6-5-11-4-3-7-24-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 353.40 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 154775356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).