4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C27H25ClN2O2S — CID 92678114

IUPAC4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H25ClN2O2S/c28-22-14-8-18(9-15-22)16-30-25(31)17-33-27(30)21-12-10-20(11-13-21)26(32)29-24-7-3-5-19-4-1-2-6-23(19)24/h1-2,4,6,8-15,24,27H,3,5,7,16-17H2,(H,29,32)/t24-,27+/m0/s1
InChIKeyGYXGXYBUPBMEGY-RPLLCQBOSA-N
MW477.03 g/mol
LogP5.92
Rot. Bonds5

About 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 92678114) has the molecular formula C27H25ClN2O2S and a molecular weight of 477.03 g/mol. Its IUPAC name is 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID92678114
Molecular FormulaC27H25ClN2O2S
Molecular Weight477.03 g/mol
Exact Mass476.13
IUPAC Name4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H25ClN2O2S/c28-22-14-8-18(9-15-22)16-30-25(31)17-33-27(30)21-12-10-20(11-13-21)26(32)29-24-7-3-5-19-4-1-2-6-23(19)24/h1-2,4,6,8-15,24,27H,3,5,7,16-17H2,(H,29,32)/t24-,27+/m0/s1
InChIKeyGYXGXYBUPBMEGY-RPLLCQBOSA-N
XLogP5.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.03
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28636866
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
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CID 1254009
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4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46642561
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
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4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 92678114) is 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@H]1CCCc2ccccc21)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is GYXGXYBUPBMEGY-RPLLCQBOSA-N. The full InChI is InChI=1S/C27H25ClN2O2S/c28-22-14-8-18(9-15-22)16-30-25(31)17-33-27(30)21-12-10-20(11-13-21)26(32)29-24-7-3-5-19-4-1-2-6-23(19)24/h1-2,4,6,8-15,24,27H,3,5,7,16-17H2,(H,29,32)/t24-,27+/m0/s1.
What are the key properties of 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 477.03 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 92678114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).