1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C21H21F2N3O3S — CID 46016737

IUPAC1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCCNC(=O)N1CCSC12C(=O)N(Cc1c(F)cccc1F)c1ccc(OC)cc12
InChIInChI=1S/C21H21F2N3O3S/c1-3-24-20(28)26-9-10-30-21(26)15-11-13(29-2)7-8-18(15)25(19(21)27)12-14-16(22)5-4-6-17(14)23/h4-8,11H,3,9-10,12H2,1-2H3,(H,24,28)
InChIKeyZXTZICZWDQLNLG-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.45
Rot. Bonds4

About 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46016737) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46016737
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Name1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCCNC(=O)N1CCSC12C(=O)N(Cc1c(F)cccc1F)c1ccc(OC)cc12
InChIInChI=1S/C21H21F2N3O3S/c1-3-24-20(28)26-9-10-30-21(26)15-11-13(29-2)7-8-18(15)25(19(21)27)12-14-16(22)5-4-6-17(14)23/h4-8,11H,3,9-10,12H2,1-2H3,(H,24,28)
InChIKeyZXTZICZWDQLNLG-UHFFFAOYSA-N
XLogP3.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46151202
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185842
N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016740
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187482
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643
(2R)-N-benzyl-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185406
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187296
(2R)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185380
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methoxy-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185874
(2S)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185302
(2S)-3-(4-fluorobenzoyl)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187069
N-ethyl-5'-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016456

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46016737) is 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is CCNC(=O)N1CCSC12C(=O)N(Cc1c(F)cccc1F)c1ccc(OC)cc12.
What is the InChIKey of 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is ZXTZICZWDQLNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-3-24-20(28)26-9-10-30-21(26)15-11-13(29-2)7-8-18(15)25(19(21)27)12-14-16(22)5-4-6-17(14)23/h4-8,11H,3,9-10,12H2,1-2H3,(H,24,28).
What are the key properties of 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46016737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).