4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide

C23H21N3O4S — CID 55535899

IUPAC4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21N3O4S/c27-22(17-5-2-1-3-6-17)24-19-9-7-18(8-10-19)23(28)25-20-11-13-21(14-12-20)26-15-4-16-31(26,29)30/h1-3,5-14H,4,15-16H2,(H,24,27)(H,25,28)
InChIKeyMMQLFFVOFJMYQA-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.73
Rot. Bonds5

About 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide (PubChem CID 55535899) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
PubChem CID55535899
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21N3O4S/c27-22(17-5-2-1-3-6-17)24-19-9-7-18(8-10-19)23(28)25-20-11-13-21(14-12-20)26-15-4-16-31(26,29)30/h1-3,5-14H,4,15-16H2,(H,24,27)(H,25,28)
InChIKeyMMQLFFVOFJMYQA-UHFFFAOYSA-N
XLogP3.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 55454072
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
CID 55432816
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The IUPAC name of 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide (CID 55535899) is 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide is O=C(Nc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The InChIKey is MMQLFFVOFJMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c27-22(17-5-2-1-3-6-17)24-19-9-7-18(8-10-19)23(28)25-20-11-13-21(14-12-20)26-15-4-16-31(26,29)30/h1-3,5-14H,4,15-16H2,(H,24,27)(H,25,28).
What are the key properties of 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 55535899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).