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

C22H20N4O3S — CID 10159114

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C22H20N4O3S/c27-21(13-16-7-3-6-15-5-1-2-8-18(15)16)23-22-19-14-17(9-10-20(19)24-25-22)26-11-4-12-30(26,28)29/h1-3,5-10,14H,4,11-13H2,(H2,23,24,25,27)
InChIKeyAHERCVYSASKJDT-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-1-ylacetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 10159114) 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-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID10159114
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-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C22H20N4O3S/c27-21(13-16-7-3-6-15-5-1-2-8-18(15)16)23-22-19-14-17(9-10-20(19)24-25-22)26-11-4-12-30(26,28)29/h1-3,5-10,14H,4,11-13H2,(H2,23,24,25,27)
InChIKeyAHERCVYSASKJDT-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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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-1-ylacetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide (CID 10159114) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)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-1-ylacetamide?
The InChIKey is AHERCVYSASKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-21(13-16-7-3-6-15-5-1-2-8-18(15)16)23-22-19-14-17(9-10-20(19)24-25-22)26-11-4-12-30(26,28)29/h1-3,5-10,14H,4,11-13H2,(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-1-ylacetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-naphthalen-1-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-1-ylacetamide is sourced from PubChem (CID 10159114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).