N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C23H22FN3O3S — CID 20922409

IUPACN-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESO=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)NC1CCCC1
InChIInChI=1S/C23H22FN3O3S/c24-15-9-11-17(12-10-15)27-21(29)14-31-23(27)18-7-3-4-8-19(18)26(22(23)30)13-20(28)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,28)
InChIKeyHXAHCLBQIDFYDS-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.16
Rot. Bonds4

About N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 20922409) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID20922409
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC NameN-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESO=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)NC1CCCC1
InChIInChI=1S/C23H22FN3O3S/c24-15-9-11-17(12-10-15)27-21(29)14-31-23(27)18-7-3-4-8-19(18)26(22(23)30)13-20(28)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,28)
InChIKeyHXAHCLBQIDFYDS-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 20922409) is N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is O=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is HXAHCLBQIDFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c24-15-9-11-17(12-10-15)27-21(29)14-31-23(27)18-7-3-4-8-19(18)26(22(23)30)13-20(28)25-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2,(H,25,28).
What are the key properties of N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 20922409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).