4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide

C17H16N2O3S — CID 9396044

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H16N2O3S/c20-15-7-8-16(21)19(15)13-5-3-12(4-6-13)17(22)18-10-9-14-2-1-11-23-14/h1-6,11H,7-10H2,(H,18,22)
InChIKeyNDPHFFNQMGLWHU-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.37
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 9396044) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID9396044
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H16N2O3S/c20-15-7-8-16(21)19(15)13-5-3-12(4-6-13)17(22)18-10-9-14-2-1-11-23-14/h1-6,11H,7-10H2,(H,18,22)
InChIKeyNDPHFFNQMGLWHU-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24628335
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 31511205
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide (CID 9396044) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is NDPHFFNQMGLWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-15-7-8-16(21)19(15)13-5-3-12(4-6-13)17(22)18-10-9-14-2-1-11-23-14/h1-6,11H,7-10H2,(H,18,22).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 9396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).