2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide

C23H28N2O4S — CID 45178335

IUPAC2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
SMILESCOCCCN1C(=O)CC(CC(=O)NC(C)Cc2ccsc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O4S/c1-17(13-18-9-12-30-16-18)24-20(26)14-23(19-7-4-3-5-8-19)15-21(27)25(22(23)28)10-6-11-29-2/h3-5,7-9,12,16-17H,6,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyNCAFGUAKUPOHFQ-UHFFFAOYSA-N
MW428.55 g/mol
LogP2.92
Rot. Bonds10

About 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide

2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide (PubChem CID 45178335) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
PubChem CID45178335
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
SMILESCOCCCN1C(=O)CC(CC(=O)NC(C)Cc2ccsc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O4S/c1-17(13-18-9-12-30-16-18)24-20(26)14-23(19-7-4-3-5-8-19)15-21(27)25(22(23)28)10-6-11-29-2/h3-5,7-9,12,16-17H,6,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyNCAFGUAKUPOHFQ-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]amino]-4-methylpentanamide
CID 45169809
2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 45175369
ethyl 4-[2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45230903
2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide
CID 125167895
N-[3-(benzotriazol-1-yl)propyl]-2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
CID 42454984
2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 45206761
(3R)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)-3-phenylpyrrolidine-2,5-dione
CID 42274081
3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-1-(3-methoxypropyl)-3-phenylpyrrolidine-2,5-dione
CID 45234351
2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide
CID 45239840
2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 45181634

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide (CID 45178335) is 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide is COCCCN1C(=O)CC(CC(=O)NC(C)Cc2ccsc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The InChIKey is NCAFGUAKUPOHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-17(13-18-9-12-30-16-18)24-20(26)14-23(19-7-4-3-5-8-19)15-21(27)25(22(23)28)10-6-11-29-2/h3-5,7-9,12,16-17H,6,10-11,13-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide has a molecular weight of 428.55 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide is sourced from PubChem (CID 45178335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).