(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C28H29N3O3S — CID 93185234

IUPAC(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCOc1ccc2c(c1)[C@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1ccccc1C
InChIInChI=1S/C28H29N3O3S/c1-19-7-6-9-21(15-19)17-29-27(33)31-13-14-35-28(31)24-16-23(34-3)11-12-25(24)30(26(28)32)18-22-10-5-4-8-20(22)2/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,29,33)/t28-/m0/s1
InChIKeyGDRDOTOXMNPIGK-NDEPHWFRSA-N
MW487.63 g/mol
LogP4.97
Rot. Bonds5

About (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93185234) has the molecular formula C28H29N3O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93185234
Molecular FormulaC28H29N3O3S
Molecular Weight487.63 g/mol
Exact Mass487.19
IUPAC Name(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCOc1ccc2c(c1)[C@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1ccccc1C
InChIInChI=1S/C28H29N3O3S/c1-19-7-6-9-21(15-19)17-29-27(33)31-13-14-35-28(31)24-16-23(34-3)11-12-25(24)30(26(28)32)18-22-10-5-4-8-20(22)2/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,29,33)/t28-/m0/s1
InChIKeyGDRDOTOXMNPIGK-NDEPHWFRSA-N
XLogP4.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-5'-methoxy-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185272
(2R)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185380
5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016591
(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185259
(2S)-5'-methoxy-N-[(3-methylphenyl)methyl]-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 98423693
(2S)-5'-methoxy-N-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185242
(2R)-N-benzyl-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185406
(2S)-N-(3-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184627
(2R)-5'-fluoro-N-(4-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184993
N-ethyl-5'-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016456
(2R)-3-(3-methoxybenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180777
1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016737

Frequently Asked Questions

What is the IUPAC name of (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93185234) is (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is COc1ccc2c(c1)[C@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1ccccc1C.
What is the InChIKey of (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is GDRDOTOXMNPIGK-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H29N3O3S/c1-19-7-6-9-21(15-19)17-29-27(33)31-13-14-35-28(31)24-16-23(34-3)11-12-25(24)30(26(28)32)18-22-10-5-4-8-20(22)2/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,29,33)/t28-/m0/s1.
What are the key properties of (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93185234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).