2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide

C23H18ClN3O4S — CID 51608085

IUPAC2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H18ClN3O4S/c24-15-7-9-16(10-8-15)27-21(29)14-32-23(27)18-5-1-2-6-19(18)26(22(23)30)13-20(28)25-12-17-4-3-11-31-17/h1-11H,12-14H2,(H,25,28)/t23-/m0/s1
InChIKeyLLTGASUODOGGMY-QHCPKHFHSA-N
MW467.93 g/mol
LogP3.53
Rot. Bonds5

About 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide

2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 51608085) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID51608085
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC Name2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H18ClN3O4S/c24-15-7-9-16(10-8-15)27-21(29)14-32-23(27)18-5-1-2-6-19(18)26(22(23)30)13-20(28)25-12-17-4-3-11-31-17/h1-11H,12-14H2,(H,25,28)/t23-/m0/s1
InChIKeyLLTGASUODOGGMY-QHCPKHFHSA-N
XLogP3.53
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-3-(3-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 51608106
2-[(2S)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 92692062
2-[(2R)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-cyclopentylacetamide
CID 41434597
2-[3-(4-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20922270
N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922395
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434580
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2,4-dimethylphenyl)acetamide
CID 51608099
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
2-[(2S)-3-(3-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434583
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide (CID 51608085) is 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LLTGASUODOGGMY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c24-15-7-9-16(10-8-15)27-21(29)14-32-23(27)18-5-1-2-6-19(18)26(22(23)30)13-20(28)25-12-17-4-3-11-31-17/h1-11H,12-14H2,(H,25,28)/t23-/m0/s1.
What are the key properties of 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 467.93 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51608085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).