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

C28H30N2O3S — CID 93125793

IUPAC4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C28H30N2O3S/c1-4-5-15-33-24-12-10-21(11-13-24)27(32)29-23-8-6-7-22(17-23)28-30(26(31)18-34-28)25-14-9-19(2)16-20(25)3/h6-14,16-17,28H,4-5,15,18H2,1-3H3,(H,29,32)/t28-/m1/s1
InChIKeyYTTQFUMHPGCNII-MUUNZHRXSA-N
MW474.63 g/mol
LogP6.51
Rot. Bonds8

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

4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125793) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125793
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C28H30N2O3S/c1-4-5-15-33-24-12-10-21(11-13-24)27(32)29-23-8-6-7-22(17-23)28-30(26(31)18-34-28)25-14-9-19(2)16-20(25)3/h6-14,16-17,28H,4-5,15,18H2,1-3H3,(H,29,32)/t28-/m1/s1
InChIKeyYTTQFUMHPGCNII-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-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
4-butoxy-N-[3-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125878
N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 93125784
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 42806124
N-[3-[(2R)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93126288
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-2-carboxamide
CID 42806144
4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125813
N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127563
4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127409
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
CID 93127556

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125793) is 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is YTTQFUMHPGCNII-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-4-5-15-33-24-12-10-21(11-13-24)27(32)29-23-8-6-7-22(17-23)28-30(26(31)18-34-28)25-14-9-19(2)16-20(25)3/h6-14,16-17,28H,4-5,15,18H2,1-3H3,(H,29,32)/t28-/m1/s1.
What are the key properties of 4-butoxy-N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-butoxy-N-[3-[(2R)-3-(2,4-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-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).