2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C23H27N3O2S — CID 46016640

IUPAC2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCSC23C(=O)N(C(C)C)c2ccccc23)cc1
InChIInChI=1S/C23H27N3O2S/c1-15(2)17-9-11-18(12-10-17)24-22(28)25-13-14-29-23(25)19-7-5-6-8-20(19)26(16(3)4)21(23)27/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)
InChIKeyDUCPMHQRYHSUEO-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.00
Rot. Bonds3

About 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016640) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46016640
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCSC23C(=O)N(C(C)C)c2ccccc23)cc1
InChIInChI=1S/C23H27N3O2S/c1-15(2)17-9-11-18(12-10-17)24-22(28)25-13-14-29-23(25)19-7-5-6-8-20(19)26(16(3)4)21(23)27/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)
InChIKeyDUCPMHQRYHSUEO-UHFFFAOYSA-N
XLogP5.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016640) is 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is CC(C)c1ccc(NC(=O)N2CCSC23C(=O)N(C(C)C)c2ccccc23)cc1.
What is the InChIKey of 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is DUCPMHQRYHSUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-15(2)17-9-11-18(12-10-17)24-22(28)25-13-14-29-23(25)19-7-5-6-8-20(19)26(16(3)4)21(23)27/h5-12,15-16H,13-14H2,1-4H3,(H,24,28).
What are the key properties of 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).