2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide

C14H15ClN2O4S — CID 21007236

IUPAC2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N2C(=O)C(C)CS2(=O)=O)cc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-3-6-16-13(18)11-5-4-10(7-12(11)15)17-14(19)9(2)8-22(17,20)21/h3-5,7,9H,1,6,8H2,2H3,(H,16,18)
InChIKeyLFGOLHJPYIBQOF-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.57
Rot. Bonds4

About 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide

2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide (PubChem CID 21007236) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
PubChem CID21007236
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(N2C(=O)C(C)CS2(=O)=O)cc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-3-6-16-13(18)11-5-4-10(7-12(11)15)17-14(19)9(2)8-22(17,20)21/h3-5,7,9H,1,6,8H2,2H3,(H,16,18)
InChIKeyLFGOLHJPYIBQOF-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997032
2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997031
2-chloro-N-[(4-methoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833586
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(3-phenylpropyl)benzamide
CID 26833635
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26833593
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833614
2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007340
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 20997050
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997051
2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007313
2-chloro-N-(3,4-dimethylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997077
2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide (CID 21007236) is 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(N2C(=O)C(C)CS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
The InChIKey is LFGOLHJPYIBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-3-6-16-13(18)11-5-4-10(7-12(11)15)17-14(19)9(2)8-22(17,20)21/h3-5,7,9H,1,6,8H2,2H3,(H,16,18).
What are the key properties of 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide?
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 342.80 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 21007236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).