3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

C26H21N5O3S — CID 17203887

IUPAC3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2nnc(C3CC(=O)N(c4ccccc4)C3)s2)c1)c1ccccc1
InChIInChI=1S/C26H21N5O3S/c32-22-15-19(16-31(22)21-12-5-2-6-13-21)25-29-30-26(35-25)28-24(34)18-10-7-11-20(14-18)27-23(33)17-8-3-1-4-9-17/h1-14,19H,15-16H2,(H,27,33)(H,28,30,34)
InChIKeyCJDZTBNWXPGTIU-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.56
Rot. Bonds6

About 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17203887) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17203887
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC Name3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2nnc(C3CC(=O)N(c4ccccc4)C3)s2)c1)c1ccccc1
InChIInChI=1S/C26H21N5O3S/c32-22-15-19(16-31(22)21-12-5-2-6-13-21)25-29-30-26(35-25)28-24(34)18-10-7-11-20(14-18)27-23(33)17-8-3-1-4-9-17/h1-14,19H,15-16H2,(H,27,33)(H,28,30,34)
InChIKeyCJDZTBNWXPGTIU-UHFFFAOYSA-N
XLogP4.56
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-(propanoylamino)benzamide
CID 17204177
4-(butanoylamino)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17203945
3-bromo-N-[5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203058
N-[5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-(propanoylamino)benzamide
CID 17204181
3-methoxy-N-[5-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203151
4-acetamido-N-[5-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 40966018
4-acetamido-N-[5-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 40966020
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 17203638
4-(1,3-dioxoisoindol-2-yl)-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17204368
N-[5-[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 40966368
3-chloro-N-[5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203035
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3,3-diphenylpropanamide
CID 17203283

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17203887) is 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1cccc(C(=O)Nc2nnc(C3CC(=O)N(c4ccccc4)C3)s2)c1)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CJDZTBNWXPGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c32-22-15-19(16-31(22)21-12-5-2-6-13-21)25-29-30-26(35-25)28-24(34)18-10-7-11-20(14-18)27-23(33)17-8-3-1-4-9-17/h1-14,19H,15-16H2,(H,27,33)(H,28,30,34).
What are the key properties of 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide?
3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 483.55 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).