N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C19H17ClN2O5S — CID 46307062

IUPACN-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)cc1
InChIInChI=1S/C19H17ClN2O5S/c1-11-10-28(26,27)22(19(11)25)17-9-14(5-8-16(17)20)18(24)21-15-6-3-13(4-7-15)12(2)23/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyDTIXYYOWIHZARQ-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.11
Rot. Bonds4

About N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 46307062) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID46307062
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC NameN-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)cc1
InChIInChI=1S/C19H17ClN2O5S/c1-11-10-28(26,27)22(19(11)25)17-9-14(5-8-16(17)20)18(24)21-15-6-3-13(4-7-15)12(2)23/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyDTIXYYOWIHZARQ-UHFFFAOYSA-N
XLogP3.11
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307015
N-(3-bromo-4-methylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307044
4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307090
4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307079
4-chloro-N-(2-methoxyphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307045
4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46307056
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996699
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
CID 42349852

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 46307062) is N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is DTIXYYOWIHZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c1-11-10-28(26,27)22(19(11)25)17-9-14(5-8-16(17)20)18(24)21-15-6-3-13(4-7-15)12(2)23/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 420.87 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 46307062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).