4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

C28H26N4O3S — CID 1142806

IUPAC4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C28H26N4O3S/c1-19-25(27(35)32(30(19)2)23-11-7-4-8-12-23)29-26(34)21-13-15-22(16-14-21)28-31(24(33)18-36-28)17-20-9-5-3-6-10-20/h3-16,28H,17-18H2,1-2H3,(H,29,34)/t28-/m1/s1
InChIKeyDQBLCVAGOUZTMQ-MUUNZHRXSA-N
MW498.61 g/mol
LogP4.51
Rot. Bonds6

About 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (PubChem CID 1142806) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
PubChem CID1142806
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C28H26N4O3S/c1-19-25(27(35)32(30(19)2)23-11-7-4-8-12-23)29-26(34)21-13-15-22(16-14-21)28-31(24(33)18-36-28)17-20-9-5-3-6-10-20/h3-16,28H,17-18H2,1-2H3,(H,29,34)/t28-/m1/s1
InChIKeyDQBLCVAGOUZTMQ-MUUNZHRXSA-N
XLogP4.51
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32684872
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 99946733
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92673208
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate
CID 43908576
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 3138297
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922007

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (CID 1142806) is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The InChIKey is DQBLCVAGOUZTMQ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-19-25(27(35)32(30(19)2)23-11-7-4-8-12-23)29-26(34)21-13-15-22(16-14-21)28-31(24(33)18-36-28)17-20-9-5-3-6-10-20/h3-16,28H,17-18H2,1-2H3,(H,29,34)/t28-/m1/s1.
What are the key properties of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide has a molecular weight of 498.61 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 1142806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).