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

C28H30N2O3S — CID 93125813

IUPAC4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-4-5-16-33-25-14-9-21(10-15-25)27(32)29-23-11-7-22(8-12-23)28-30(26(31)18-34-28)24-13-6-19(2)20(3)17-24/h6-15,17,28H,4-5,16,18H2,1-3H3,(H,29,32)/t28-/m1/s1
InChIKeyYPZSKASLPDYLKH-MUUNZHRXSA-N
MW474.63 g/mol
LogP6.51
Rot. Bonds8

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

4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125813) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125813
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-4-5-16-33-25-14-9-21(10-15-25)27(32)29-23-11-7-22(8-12-23)28-30(26(31)18-34-28)24-13-6-19(2)20(3)17-24/h6-15,17,28H,4-5,16,18H2,1-3H3,(H,29,32)/t28-/m1/s1
InChIKeyYPZSKASLPDYLKH-MUUNZHRXSA-N
XLogP6.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
4-butoxy-N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
4-butoxy-N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125878
4-methoxy-N-[4-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127065
4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125793
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
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-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125813) is 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is YPZSKASLPDYLKH-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-4-5-16-33-25-14-9-21(10-15-25)27(32)29-23-11-7-22(8-12-23)28-30(26(31)18-34-28)24-13-6-19(2)20(3)17-24/h6-15,17,28H,4-5,16,18H2,1-3H3,(H,29,32)/t28-/m1/s1.
What are the key properties of 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 474.63 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).