4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C20H16N4O3S — CID 27991649

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H16N4O3S/c25-16-10-11-17(26)24(16)12-13-6-8-14(9-7-13)18(27)21-20-23-22-19(28-20)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,23,27)
InChIKeyJDWNHAWXBBRAQT-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.11
Rot. Bonds5

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 27991649) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID27991649
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H16N4O3S/c25-16-10-11-17(26)24(16)12-13-6-8-14(9-7-13)18(27)21-20-23-22-19(28-20)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,23,27)
InChIKeyJDWNHAWXBBRAQT-UHFFFAOYSA-N
XLogP3.11
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33040140
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630
4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 56548861
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100515994
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 47739579
4-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92546648
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 27991649) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JDWNHAWXBBRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-16-10-11-17(26)24(16)12-13-6-8-14(9-7-13)18(27)21-20-23-22-19(28-20)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,21,23,27).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 27991649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).