4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C28H30N2O3S — CID 93125677

IUPAC4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-3-5-6-20-7-9-21(10-8-20)27(32)29-23-13-11-22(12-14-23)28-30(26(31)19-34-28)24-15-17-25(18-16-24)33-4-2/h7-18,28H,3-6,19H2,1-2H3,(H,29,32)/t28-/m1/s1
InChIKeyBVTIGZQXHWBSAT-MUUNZHRXSA-N
MW474.63 g/mol
LogP6.46
Rot. Bonds9

About 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125677) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125677
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-3-5-6-20-7-9-21(10-8-20)27(32)29-23-13-11-22(12-14-23)28-30(26(31)19-34-28)24-15-17-25(18-16-24)33-4-2/h7-18,28H,3-6,19H2,1-2H3,(H,29,32)/t28-/m1/s1
InChIKeyBVTIGZQXHWBSAT-MUUNZHRXSA-N
XLogP6.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93123921
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
4-butyl-N-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126490
4-butoxy-N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125813
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 93125671
N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125677) is 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is BVTIGZQXHWBSAT-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-3-5-6-20-7-9-21(10-8-20)27(32)29-23-13-11-22(12-14-23)28-30(26(31)19-34-28)24-15-17-25(18-16-24)33-4-2/h7-18,28H,3-6,19H2,1-2H3,(H,29,32)/t28-/m1/s1.
What are the key properties of 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 474.63 g/mol, XLogP of 6.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).