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

C27H27N3O3S — CID 93185259

IUPAC(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCOc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(C)c1)C(=O)N2Cc1ccccc1C
InChIInChI=1S/C27H27N3O3S/c1-18-7-6-10-21(15-18)28-26(32)30-13-14-34-27(30)23-16-22(33-3)11-12-24(23)29(25(27)31)17-20-9-5-4-8-19(20)2/h4-12,15-16H,13-14,17H2,1-3H3,(H,28,32)/t27-/m1/s1
InChIKeyTUORGXQDRRFREQ-HHHXNRCGSA-N
MW473.60 g/mol
LogP5.29
Rot. Bonds4

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

(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93185259) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93185259
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCOc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(C)c1)C(=O)N2Cc1ccccc1C
InChIInChI=1S/C27H27N3O3S/c1-18-7-6-10-21(15-18)28-26(32)30-13-14-34-27(30)23-16-22(33-3)11-12-24(23)29(25(27)31)17-20-9-5-4-8-19(20)2/h4-12,15-16H,13-14,17H2,1-3H3,(H,28,32)/t27-/m1/s1
InChIKeyTUORGXQDRRFREQ-HHHXNRCGSA-N
XLogP5.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016591
(2S)-5'-methoxy-N-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185242
(2S)-5'-methoxy-1'-[(2-methylphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185234
(2S)-1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184746
(2S)-N-benzyl-5'-methoxy-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185272
(2R)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185348
1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016467
(2S)-N-(3-methoxyphenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184627
(2R)-1'-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184749
1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839123
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185842
1'-[(4-tert-butylphenyl)methyl]-5'-methoxy-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016575

Frequently Asked Questions

What is the IUPAC name of (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93185259) is (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(C)c1)C(=O)N2Cc1ccccc1C.
What is the InChIKey of (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is TUORGXQDRRFREQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-18-7-6-10-21(15-18)28-26(32)30-13-14-34-27(30)23-16-22(33-3)11-12-24(23)29(25(27)31)17-20-9-5-4-8-19(20)2/h4-12,15-16H,13-14,17H2,1-3H3,(H,28,32)/t27-/m1/s1.
What are the key properties of (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5'-methoxy-N-(3-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93185259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).