2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H18Cl2N4O4S — CID 146667613

IUPAC2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCn1cc(Oc2cc(Cl)cc(NC(=O)c3cc(N4CCCS4(=O)=O)ccc3Cl)c2)cn1
InChIInChI=1S/C20H18Cl2N4O4S/c1-25-12-17(11-23-25)30-16-8-13(21)7-14(9-16)24-20(27)18-10-15(3-4-19(18)22)26-5-2-6-31(26,28)29/h3-4,7-12H,2,5-6H2,1H3,(H,24,27)
InChIKeyZFGHHBAYTYIUHG-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.31
Rot. Bonds5

About 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667613) has the molecular formula C20H18Cl2N4O4S and a molecular weight of 481.36 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146667613
Molecular FormulaC20H18Cl2N4O4S
Molecular Weight481.36 g/mol
Exact Mass480.04
IUPAC Name2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCn1cc(Oc2cc(Cl)cc(NC(=O)c3cc(N4CCCS4(=O)=O)ccc3Cl)c2)cn1
InChIInChI=1S/C20H18Cl2N4O4S/c1-25-12-17(11-23-25)30-16-8-13(21)7-14(9-16)24-20(27)18-10-15(3-4-19(18)22)26-5-2-6-31(26,28)29/h3-4,7-12H,2,5-6H2,1H3,(H,24,27)
InChIKeyZFGHHBAYTYIUHG-UHFFFAOYSA-N
XLogP4.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668604
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-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667685
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-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-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146667613) is 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Cn1cc(Oc2cc(Cl)cc(NC(=O)c3cc(N4CCCS4(=O)=O)ccc3Cl)c2)cn1.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ZFGHHBAYTYIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4S/c1-25-12-17(11-23-25)30-16-8-13(21)7-14(9-16)24-20(27)18-10-15(3-4-19(18)22)26-5-2-6-31(26,28)29/h3-4,7-12H,2,5-6H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 481.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).