1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C23H20N2O3S2 — CID 46016829

IUPAC1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(CN2C(=O)C3(SCCN3C(=O)c3cccs3)c3ccccc32)c1
InChIInChI=1S/C23H20N2O3S2/c1-28-17-7-4-6-16(14-17)15-24-19-9-3-2-8-18(19)23(22(24)27)25(11-13-30-23)21(26)20-10-5-12-29-20/h2-10,12,14H,11,13,15H2,1H3
InChIKeyZZRWMHXZBHALOV-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.35
Rot. Bonds4

About 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016829) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016829
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1cccc(CN2C(=O)C3(SCCN3C(=O)c3cccs3)c3ccccc32)c1
InChIInChI=1S/C23H20N2O3S2/c1-28-17-7-4-6-16(14-17)15-24-19-9-3-2-8-18(19)23(22(24)27)25(11-13-30-23)21(26)20-10-5-12-29-20/h2-10,12,14H,11,13,15H2,1H3
InChIKeyZZRWMHXZBHALOV-UHFFFAOYSA-N
XLogP4.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186213
(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186126
5'-methoxy-3-(thiophene-2-carbonyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839214
(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180742
(2S)-3-(4-fluorobenzoyl)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187069
(2S)-N-(3-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184627
(2R)-N-benzyl-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185406
5'-chloro-3-(4-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017058
3-[[5'-chloro-2'-oxo-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 46017388
(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180777
1'-benzyl-5'-chloro-3-(3-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015597
(2R)-3-(4-chlorobenzoyl)-1'-[(3-methoxyphenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186464

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016829) is 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1cccc(CN2C(=O)C3(SCCN3C(=O)c3cccs3)c3ccccc32)c1.
What is the InChIKey of 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is ZZRWMHXZBHALOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c1-28-17-7-4-6-16(14-17)15-24-19-9-3-2-8-18(19)23(22(24)27)25(11-13-30-23)21(26)20-10-5-12-29-20/h2-10,12,14H,11,13,15H2,1H3.
What are the key properties of 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 436.56 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).