(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C21H22ClN3O2S — CID 93180395

IUPAC(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCCN1C(=O)[C@@]2(SC(C)(C)CN2C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C21H22ClN3O2S/c1-4-24-17-11-6-5-10-16(17)21(18(24)26)25(13-20(2,3)28-21)19(27)23-15-9-7-8-14(22)12-15/h5-12H,4,13H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyYPZCMSTYARHBHB-NRFANRHFSA-N
MW415.95 g/mol
LogP4.92
Rot. Bonds2

About (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 93180395) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID93180395
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCCN1C(=O)[C@@]2(SC(C)(C)CN2C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C21H22ClN3O2S/c1-4-24-17-11-6-5-10-16(17)21(18(24)26)25(13-20(2,3)28-21)19(27)23-15-9-7-8-14(22)12-15/h5-12H,4,13H2,1-3H3,(H,23,27)/t21-/m0/s1
InChIKeyYPZCMSTYARHBHB-NRFANRHFSA-N
XLogP4.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-ethyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015169
1'-benzyl-5,5-dimethyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015157
1'-benzyl-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015155
1'-benzyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015159
1'-ethyl-5'-fluoro-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015085
(2R)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180305
N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015152
(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
N-ethyl-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015175
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015144
3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015216

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 93180395) is (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is CCN1C(=O)[C@@]2(SC(C)(C)CN2C(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is YPZCMSTYARHBHB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-4-24-17-11-6-5-10-16(17)21(18(24)26)25(13-20(2,3)28-21)19(27)23-15-9-7-8-14(22)12-15/h5-12H,4,13H2,1-3H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 415.95 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 93180395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).