2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C18H18Cl2N2O4S — CID 146668604

IUPAC2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCOc1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(=O)=O)ccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4S/c1-2-26-15-9-12(19)8-13(10-15)21-18(23)16-11-14(4-5-17(16)20)22-6-3-7-27(22,24)25/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyMZWSIUKVAUEJHE-UHFFFAOYSA-N
MW429.33 g/mol
LogP4.18
Rot. Bonds5

About 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668604) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146668604
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCOc1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(=O)=O)ccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4S/c1-2-26-15-9-12(19)8-13(10-15)21-18(23)16-11-14(4-5-17(16)20)22-6-3-7-27(22,24)25/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,23)
InChIKeyMZWSIUKVAUEJHE-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668619
2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667471
2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667613
tert-butyl 4-[3-chloro-5-[[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenoxy]piperidine-1-carboxylate
CID 146668841
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667685
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-chloro-N-(3-chloro-5-methoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzamide
CID 146668607
2-chloro-N-(3-cyano-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628355
2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667596
2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146668604) is 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CCOc1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(=O)=O)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is MZWSIUKVAUEJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-2-26-15-9-12(19)8-13(10-15)21-18(23)16-11-14(4-5-17(16)20)22-6-3-7-27(22,24)25/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 429.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).