N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide

C24H22N4O3S — CID 10114553

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C24H22N4O3S/c29-23(15-17-7-9-19(10-8-17)18-5-2-1-3-6-18)25-24-21-16-20(11-12-22(21)26-27-24)28-13-4-14-32(28,30)31/h1-3,5-12,16H,4,13-15H2,(H2,25,26,27,29)
InChIKeyACNJMIYZGUUYIE-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.95
Rot. Bonds5

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 10114553) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide
PubChem CID10114553
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C24H22N4O3S/c29-23(15-17-7-9-19(10-8-17)18-5-2-1-3-6-18)25-24-21-16-20(11-12-22(21)26-27-24)28-13-4-14-32(28,30)31/h1-3,5-12,16H,4,13-15H2,(H2,25,26,27,29)
InChIKeyACNJMIYZGUUYIE-UHFFFAOYSA-N
XLogP3.95
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide (CID 10114553) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is ACNJMIYZGUUYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-23(15-17-7-9-19(10-8-17)18-5-2-1-3-6-18)25-24-21-16-20(11-12-22(21)26-27-24)28-13-4-14-32(28,30)31/h1-3,5-12,16H,4,13-15H2,(H2,25,26,27,29).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 446.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 10114553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).