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

C23H20N2O3S — CID 42804066

IUPAC3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C3SCC(=O)N3c3ccccc3)cc2)c1
InChIInChI=1S/C23H20N2O3S/c1-28-20-9-5-6-17(14-20)22(27)24-18-12-10-16(11-13-18)23-25(21(26)15-29-23)19-7-3-2-4-8-19/h2-14,23H,15H2,1H3,(H,24,27)
InChIKeyMRXPGMNKRPWNRR-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.73
Rot. Bonds5

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

3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide (PubChem CID 42804066) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
PubChem CID42804066
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C3SCC(=O)N3c3ccccc3)cc2)c1
InChIInChI=1S/C23H20N2O3S/c1-28-20-9-5-6-17(14-20)22(27)24-18-12-10-16(11-13-18)23-25(21(26)15-29-23)19-7-3-2-4-8-19/h2-14,23H,15H2,1H3,(H,24,27)
InChIKeyMRXPGMNKRPWNRR-UHFFFAOYSA-N
XLogP4.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127065
3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125382
N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
CID 42807662
4-methoxy-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127088
N-hydroxy-3-[[3-[3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]carbamoyl]benzeneamine oxide
CID 170045471
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3445359
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379
4-ethyl-N-[3-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127128
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide (CID 42804066) is 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C3SCC(=O)N3c3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide?
The InChIKey is MRXPGMNKRPWNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-28-20-9-5-6-17(14-20)22(27)24-18-12-10-16(11-13-18)23-25(21(26)15-29-23)19-7-3-2-4-8-19/h2-14,23H,15H2,1H3,(H,24,27).
What are the key properties of 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide?
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 42804066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).