4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide

C25H24N2O4S2 — CID 167544763

IUPAC4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
SMILESNC(=O)C(CC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O4S2/c26-24(29)22(20-9-5-2-6-10-20)17-23(28)25-27(15-16-32-25)33(30,31)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14,22,25H,15-17H2,(H2,26,29)
InChIKeyBQJQAPVHYZOQIJ-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.65
Rot. Bonds8

About 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide

4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide (PubChem CID 167544763) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide.

Molecular Properties

Compound Name4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
PubChem CID167544763
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
SMILESNC(=O)C(CC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O4S2/c26-24(29)22(20-9-5-2-6-10-20)17-23(28)25-27(15-16-32-25)33(30,31)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14,22,25H,15-17H2,(H2,26,29)
InChIKeyBQJQAPVHYZOQIJ-UHFFFAOYSA-N
XLogP3.65
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]-5-piperidin-1-ylpentan-1-one
CID 167553183
3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one
CID 167542891
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983
4-O-tert-butyl 1-O-[(3R)-3-(4-fluorophenyl)-5-oxo-5-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentyl] (2S)-2-propan-2-ylbutanedioate
CID 158646794
N-[1-phenyl-3-(2-phenylethylamino)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10289920
(2S)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217804
N-[3-chloro-1-(4-fluorophenyl)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 155601125
N-[(6-chloro-3-pyridinyl)-phenylmethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167695455
N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167553021
N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217272
(2S)-N-[(1R,2Z,4Z)-2-(methylideneamino)-1-phenylhexa-2,4-dienyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 88999303

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide?
The IUPAC name of 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide (CID 167544763) is 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide.
What is the SMILES notation for 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide?
The canonical SMILES for 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide is NC(=O)C(CC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide?
The InChIKey is BQJQAPVHYZOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c26-24(29)22(20-9-5-2-6-10-20)17-23(28)25-27(15-16-32-25)33(30,31)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14,22,25H,15-17H2,(H2,26,29).
What are the key properties of 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide?
4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide has a molecular weight of 480.61 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide is sourced from PubChem (CID 167544763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).