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

C27H24ClN3O3S — CID 30384728

IUPAC4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24ClN3O3S/c28-21-9-3-18(4-10-21)16-31-25(33)17-35-27(31)20-7-5-19(6-8-20)26(34)29-22-11-13-23(14-12-22)30-15-1-2-24(30)32/h3-14,27H,1-2,15-17H2,(H,29,34)/t27-/m1/s1
InChIKeyCJLARSJLWGCSLE-HHHXNRCGSA-N
MW506.03 g/mol
LogP5.49
Rot. Bonds6

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

4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 30384728) has the molecular formula C27H24ClN3O3S and a molecular weight of 506.03 g/mol. Its IUPAC name is 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID30384728
Molecular FormulaC27H24ClN3O3S
Molecular Weight506.03 g/mol
Exact Mass505.12
IUPAC Name4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24ClN3O3S/c28-21-9-3-18(4-10-21)16-31-25(33)17-35-27(31)20-7-5-19(6-8-20)26(34)29-22-11-13-23(14-12-22)30-15-1-2-24(30)32/h3-14,27H,1-2,15-17H2,(H,29,34)/t27-/m1/s1
InChIKeyCJLARSJLWGCSLE-HHHXNRCGSA-N
XLogP5.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.03
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-chloro-4-[[4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
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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-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 30384728) is 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCC2=O)cc1)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-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is CJLARSJLWGCSLE-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H24ClN3O3S/c28-21-9-3-18(4-10-21)16-31-25(33)17-35-27(31)20-7-5-19(6-8-20)26(34)29-22-11-13-23(14-12-22)30-15-1-2-24(30)32/h3-14,27H,1-2,15-17H2,(H,29,34)/t27-/m1/s1.
What are the key properties of 4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 506.03 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 30384728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).