N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide

C22H20N4O3S — CID 10202305

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C22H20N4O3S/c27-21(13-15-6-7-16-4-1-2-5-17(16)12-15)23-22-19-14-18(8-9-20(19)24-25-22)26-10-3-11-30(26,28)29/h1-2,4-9,12,14H,3,10-11,13H2,(H2,23,24,25,27)
InChIKeyORZSTHMXZBZWIN-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.44
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 10202305) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide
PubChem CID10202305
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C22H20N4O3S/c27-21(13-15-6-7-16-4-1-2-5-17(16)12-15)23-22-19-14-18(8-9-20(19)24-25-22)26-10-3-11-30(26,28)29/h1-2,4-9,12,14H,3,10-11,13H2,(H2,23,24,25,27)
InChIKeyORZSTHMXZBZWIN-UHFFFAOYSA-N
XLogP3.44
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sgc aak1 1
CID 134812845
Sgc-cdkl2/aak1/bmp2K-1
CID 155543077
N-(5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL)-2-(4-piperidin-1-ylphenyl)acetamide
CID 10138993
N-[6-(3-methanesulfonamidophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539599
N-[6-(4-methanesulfonamidophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539600
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 137348448
N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 137349551
N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 137349552
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-phenyl-acetamide
CID 9951265
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-p-tolyl-acetamide
CID 10110571
Cdk inhibitor BAI
CID 10114553
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 10134861

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide (CID 10202305) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)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-naphthalen-2-ylacetamide?
The InChIKey is ORZSTHMXZBZWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-21(13-15-6-7-16-4-1-2-5-17(16)12-15)23-22-19-14-18(8-9-20(19)24-25-22)26-10-3-11-30(26,28)29/h1-2,4-9,12,14H,3,10-11,13H2,(H2,23,24,25,27).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 420.49 g/mol, XLogP of 3.44, 4 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 10202305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).