(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C24H28ClN3O2S — CID 93181964

IUPAC(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccccc1CN1C(=O)[C@@]2(SC(C)(C)CN2C(=O)NC(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C24H28ClN3O2S/c1-15(2)26-22(30)28-14-23(4,5)31-24(28)19-12-18(25)10-11-20(19)27(21(24)29)13-17-9-7-6-8-16(17)3/h6-12,15H,13-14H2,1-5H3,(H,26,30)/t24-/m0/s1
InChIKeyJWRLDRZXIDJIFK-DEOSSOPVSA-N
MW458.03 g/mol
LogP5.29
Rot. Bonds3

About (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93181964) has the molecular formula C24H28ClN3O2S and a molecular weight of 458.03 g/mol. Its IUPAC name is (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93181964
Molecular FormulaC24H28ClN3O2S
Molecular Weight458.03 g/mol
Exact Mass457.16
IUPAC Name(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCc1ccccc1CN1C(=O)[C@@]2(SC(C)(C)CN2C(=O)NC(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C24H28ClN3O2S/c1-15(2)26-22(30)28-14-23(4,5)31-24(28)19-12-18(25)10-11-20(19)27(21(24)29)13-17-9-7-6-8-16(17)3/h6-12,15H,13-14H2,1-5H3,(H,26,30)/t24-/m0/s1
InChIKeyJWRLDRZXIDJIFK-DEOSSOPVSA-N
XLogP5.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.03
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015175
(2S)-1'-benzyl-5'-chloro-N-(3,4-dimethylphenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93181946
(2S)-5,5-dimethyl-N-(4-methylphenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180444
(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181022
(2S)-1'-benzyl-5'-chloro-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181772
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312
1'-benzyl-3-(3-chlorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015206
(2S)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181091
5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 66523007
(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180395
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538
1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015155

Frequently Asked Questions

What is the IUPAC name of (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93181964) is (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is Cc1ccccc1CN1C(=O)[C@@]2(SC(C)(C)CN2C(=O)NC(C)C)c2cc(Cl)ccc21.
What is the InChIKey of (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is JWRLDRZXIDJIFK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28ClN3O2S/c1-15(2)26-22(30)28-14-23(4,5)31-24(28)19-12-18(25)10-11-20(19)27(21(24)29)13-17-9-7-6-8-16(17)3/h6-12,15H,13-14H2,1-5H3,(H,26,30)/t24-/m0/s1.
What are the key properties of (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 458.03 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5'-chloro-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxo-N-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93181964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).