2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide

C23H19ClN2O5S — CID 26833730

IUPAC2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(Cl)c2)C1=O
InChIInChI=1S/C23H19ClN2O5S/c1-15-14-32(29,30)26(23(15)28)17-9-12-20(21(24)13-17)22(27)25-16-7-10-19(11-8-16)31-18-5-3-2-4-6-18/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyQVJZNLDOVDKVJW-OAHLLOKOSA-N
MW470.93 g/mol
LogP4.70
Rot. Bonds5

About 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide

2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide (PubChem CID 26833730) has the molecular formula C23H19ClN2O5S and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide
PubChem CID26833730
Molecular FormulaC23H19ClN2O5S
Molecular Weight470.93 g/mol
Exact Mass470.07
IUPAC Name2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(Cl)c2)C1=O
InChIInChI=1S/C23H19ClN2O5S/c1-15-14-32(29,30)26(23(15)28)17-9-12-20(21(24)13-17)22(27)25-16-7-10-19(11-8-16)31-18-5-3-2-4-6-18/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyQVJZNLDOVDKVJW-OAHLLOKOSA-N
XLogP4.70
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655
2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007313
2-chloro-N-(2,3-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833661
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(3-phenylpropyl)benzamide
CID 26833635
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
CID 21007236
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26833593
N-(4-ethoxyphenyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348164
N-(4-ethoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348169
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996957
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833614
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide (CID 26833730) is 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide is C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is QVJZNLDOVDKVJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19ClN2O5S/c1-15-14-32(29,30)26(23(15)28)17-9-12-20(21(24)13-17)22(27)25-16-7-10-19(11-8-16)31-18-5-3-2-4-6-18/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide?
2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 470.93 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 26833730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).