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

C23H26N4O3S — CID 10203520

IUPAC2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide
SMILESO=C(Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H26N4O3S/c28-23(21(17-9-4-5-10-17)16-7-2-1-3-8-16)24-22-19-15-18(11-12-20(19)25-26-22)27-13-6-14-31(27,29)30/h1-3,7-8,11-12,15,17,21H,4-6,9-10,13-14H2,(H2,24,25,26,28)
InChIKeyOXWIRYQKICBPHO-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.02
Rot. Bonds5

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

2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide (PubChem CID 10203520) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide
PubChem CID10203520
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide
SMILESO=C(Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H26N4O3S/c28-23(21(17-9-4-5-10-17)16-7-2-1-3-8-16)24-22-19-15-18(11-12-20(19)25-26-22)27-13-6-14-31(27,29)30/h1-3,7-8,11-12,15,17,21H,4-6,9-10,13-14H2,(H2,24,25,26,28)
InChIKeyOXWIRYQKICBPHO-UHFFFAOYSA-N
XLogP4.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide (CID 10203520) is 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide is O=C(Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12)C(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide?
The InChIKey is OXWIRYQKICBPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(21(17-9-4-5-10-17)16-7-2-1-3-8-16)24-22-19-15-18(11-12-20(19)25-26-22)27-13-6-14-31(27,29)30/h1-3,7-8,11-12,15,17,21H,4-6,9-10,13-14H2,(H2,24,25,26,28).
What are the key properties of 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide?
2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide has a molecular weight of 438.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 10203520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).