(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

C25H25NO2S — CID 7418724

IUPAC(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H25NO2S/c1-2-23(19-10-5-3-6-11-19)24(27)26-16-17-29-25(26)20-12-9-15-22(18-20)28-21-13-7-4-8-14-21/h3-15,18,23,25H,2,16-17H2,1H3/t23-,25+/m1/s1
InChIKeyMKBNMWIYSYUONT-NOZRDPDXSA-N
MW403.55 g/mol
LogP6.25
Rot. Bonds6

About (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (PubChem CID 7418724) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
PubChem CID7418724
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H25NO2S/c1-2-23(19-10-5-3-6-11-19)24(27)26-16-17-29-25(26)20-12-9-15-22(18-20)28-21-13-7-4-8-14-21/h3-15,18,23,25H,2,16-17H2,1H3/t23-,25+/m1/s1
InChIKeyMKBNMWIYSYUONT-NOZRDPDXSA-N
XLogP6.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one
CID 122329135
(2R)-1-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7237057
(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 1024533
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7297133
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (CID 7418724) is (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is CC[C@@H](C(=O)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1.
What is the InChIKey of (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The InChIKey is MKBNMWIYSYUONT-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-2-23(19-10-5-3-6-11-19)24(27)26-16-17-29-25(26)20-12-9-15-22(18-20)28-21-13-7-4-8-14-21/h3-15,18,23,25H,2,16-17H2,1H3/t23-,25+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one has a molecular weight of 403.55 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 7418724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).