4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide

C23H18ClN3O5S — CID 46132828

IUPAC4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C23H18ClN3O5S/c1-32-20-9-5-4-8-18(20)26-21(28)13-33-23(26)15-6-2-3-7-17(15)25-22(29)14-10-11-16(24)19(12-14)27(30)31/h2-12,23H,13H2,1H3,(H,25,29)
InChIKeyODSNELWAMWGCLD-UHFFFAOYSA-N
MW483.93 g/mol
LogP5.29
Rot. Bonds6

About 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide

4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide (PubChem CID 46132828) has the molecular formula C23H18ClN3O5S and a molecular weight of 483.93 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
PubChem CID46132828
Molecular FormulaC23H18ClN3O5S
Molecular Weight483.93 g/mol
Exact Mass483.07
IUPAC Name4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C23H18ClN3O5S/c1-32-20-9-5-4-8-18(20)26-21(28)13-33-23(26)15-6-2-3-7-17(15)25-22(29)14-10-11-16(24)19(12-14)27(30)31/h2-12,23H,13H2,1H3,(H,25,29)
InChIKeyODSNELWAMWGCLD-UHFFFAOYSA-N
XLogP5.29
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.93
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127988
N-[2-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-fluorobenzamide
CID 93125918
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
4-tert-butyl-N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126876
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 3602525
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
4-[2-[(4-chloro-3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506214
4-chloro-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzamide
CID 108728711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide (CID 46132828) is 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide is COc1ccccc1N1C(=O)CSC1c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide?
The InChIKey is ODSNELWAMWGCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O5S/c1-32-20-9-5-4-8-18(20)26-21(28)13-33-23(26)15-6-2-3-7-17(15)25-22(29)14-10-11-16(24)19(12-14)27(30)31/h2-12,23H,13H2,1H3,(H,25,29).
What are the key properties of 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide?
4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide has a molecular weight of 483.93 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 46132828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).