3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide

C23H20N4O6S — CID 24980968

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C23H20N4O6S/c1-33-12-11-25(23-24-19(14-34-23)15-5-7-17(8-6-15)27(31)32)22(30)16-3-2-4-18(13-16)26-20(28)9-10-21(26)29/h2-8,13-14H,9-12H2,1H3
InChIKeyLZEJDSKDLMOFJI-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.66
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 24980968) has the molecular formula C23H20N4O6S and a molecular weight of 480.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID24980968
Molecular FormulaC23H20N4O6S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C23H20N4O6S/c1-33-12-11-25(23-24-19(14-34-23)15-5-7-17(8-6-15)27(31)32)22(30)16-3-2-4-18(13-16)26-20(28)9-10-21(26)29/h2-8,13-14H,9-12H2,1H3
InChIKeyLZEJDSKDLMOFJI-UHFFFAOYSA-N
XLogP3.66
TPSA122.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide (CID 24980968) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide is COCCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LZEJDSKDLMOFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O6S/c1-33-12-11-25(23-24-19(14-34-23)15-5-7-17(8-6-15)27(31)32)22(30)16-3-2-4-18(13-16)26-20(28)9-10-21(26)29/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 480.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24980968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).