2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide

C14H18N2O3S — CID 75416631

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
SMILESCC(Cc1ccsc1)NC(=O)C(C)N1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O3S/c1-9(7-11-5-6-20-8-11)15-14(19)10(2)16-12(17)3-4-13(16)18/h5-6,8-10H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyUKTDHZHNDGWDHS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.33
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide (PubChem CID 75416631) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
PubChem CID75416631
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
SMILESCC(Cc1ccsc1)NC(=O)C(C)N1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O3S/c1-9(7-11-5-6-20-8-11)15-14(19)10(2)16-12(17)3-4-13(16)18/h5-6,8-10H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyUKTDHZHNDGWDHS-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide (CID 75416631) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide is CC(Cc1ccsc1)NC(=O)C(C)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The InChIKey is UKTDHZHNDGWDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(7-11-5-6-20-8-11)15-14(19)10(2)16-12(17)3-4-13(16)18/h5-6,8-10H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(1-thiophen-3-ylpropan-2-yl)propanamide is sourced from PubChem (CID 75416631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).