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

C28H30N2O2S — CID 93123921

IUPAC4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3)cc2)cc1
InChIInChI=1S/C28H30N2O2S/c1-2-3-4-6-9-21-12-14-22(15-13-21)27(32)29-24-18-16-23(17-19-24)28-30(26(31)20-33-28)25-10-7-5-8-11-25/h5,7-8,10-19,28H,2-4,6,9,20H2,1H3,(H,29,32)/t28-/m1/s1
InChIKeyXBAVXLSCWKPEPS-MUUNZHRXSA-N
MW458.63 g/mol
LogP6.84
Rot. Bonds9

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

4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93123921) has the molecular formula C28H30N2O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93123921
Molecular FormulaC28H30N2O2S
Molecular Weight458.63 g/mol
Exact Mass458.20
IUPAC Name4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3)cc2)cc1
InChIInChI=1S/C28H30N2O2S/c1-2-3-4-6-9-21-12-14-22(15-13-21)27(32)29-24-18-16-23(17-19-24)28-30(26(31)20-33-28)25-10-7-5-8-11-25/h5,7-8,10-19,28H,2-4,6,9,20H2,1H3,(H,29,32)/t28-/m1/s1
InChIKeyXBAVXLSCWKPEPS-MUUNZHRXSA-N
XLogP6.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
N-[4-[3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-hexylbenzamide
CID 42807186
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-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126508
4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125956
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
4-tert-butyl-N-[4-[(2R)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93128045
4-tert-butyl-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93005242
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804066

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93123921) is 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCCCCc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccccc3)cc2)cc1.
What is the InChIKey of 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is XBAVXLSCWKPEPS-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30N2O2S/c1-2-3-4-6-9-21-12-14-22(15-13-21)27(32)29-24-18-16-23(17-19-24)28-30(26(31)20-33-28)25-10-7-5-8-11-25/h5,7-8,10-19,28H,2-4,6,9,20H2,1H3,(H,29,32)/t28-/m1/s1.
What are the key properties of 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 458.63 g/mol, XLogP of 6.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93123921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).