2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide

C21H22Cl3N3OS — CID 146668522

IUPAC2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(N2CCCCC2)c1)c1cc(N2CCCS2)cc(Cl)c1Cl
InChIInChI=1S/C21H22Cl3N3OS/c22-14-9-15(11-16(10-14)26-5-2-1-3-6-26)25-21(28)18-12-17(13-19(23)20(18)24)27-7-4-8-29-27/h9-13H,1-8H2,(H,25,28)
InChIKeyZSTYMSPFIMCRTL-UHFFFAOYSA-N
MW470.85 g/mol
LogP6.75
Rot. Bonds4

About 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668522) has the molecular formula C21H22Cl3N3OS and a molecular weight of 470.85 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
PubChem CID146668522
Molecular FormulaC21H22Cl3N3OS
Molecular Weight470.85 g/mol
Exact Mass469.05
IUPAC Name2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(N2CCCCC2)c1)c1cc(N2CCCS2)cc(Cl)c1Cl
InChIInChI=1S/C21H22Cl3N3OS/c22-14-9-15(11-16(10-14)26-5-2-1-3-6-26)25-21(28)18-12-17(13-19(23)20(18)24)27-7-4-8-29-27/h9-13H,1-8H2,(H,25,28)
InChIKeyZSTYMSPFIMCRTL-UHFFFAOYSA-N
XLogP6.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.85
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668673
methyl 2,3-dichloro-5-(1,2-thiazolidin-2-yl)benzoate
CID 146667440
2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668495
2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668427
2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146667537
2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide
CID 146667435
2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628430
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628312
2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667513

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide (CID 146668522) is 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(N2CCCCC2)c1)c1cc(N2CCCS2)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ZSTYMSPFIMCRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3OS/c22-14-9-15(11-16(10-14)26-5-2-1-3-6-26)25-21(28)18-12-17(13-19(23)20(18)24)27-7-4-8-29-27/h9-13H,1-8H2,(H,25,28).
What are the key properties of 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 470.85 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).