4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C20H21ClN2O4S — CID 42348615

IUPAC4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)(C)CS3(=O)=O)c2)c(C)c1
InChIInChI=1S/C20H21ClN2O4S/c1-12-5-8-16(13(2)9-12)22-18(24)14-6-7-15(21)17(10-14)23-19(25)20(3,4)11-28(23,26)27/h5-10H,11H2,1-4H3,(H,22,24)
InChIKeyUUZQAFBAGLXCAN-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.91
Rot. Bonds3

About 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 42348615) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID42348615
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)(C)CS3(=O)=O)c2)c(C)c1
InChIInChI=1S/C20H21ClN2O4S/c1-12-5-8-16(13(2)9-12)22-18(24)14-6-7-15(21)17(10-14)23-19(25)20(3,4)11-28(23,26)27/h5-10H,11H2,1-4H3,(H,22,24)
InChIKeyUUZQAFBAGLXCAN-UHFFFAOYSA-N
XLogP3.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethylphenyl)benzamide
CID 42348637
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 42348649
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-methoxyphenyl)benzamide
CID 42348733
4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42348310
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 46307002
N-(2,4-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007063
N-(2-bromo-4-methylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007467
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methylphenyl)benzamide
CID 20996818
2-(2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 82092286
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-3-methylbenzoyl chloride
CID 16642616
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 42348615) is 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)(C)CS3(=O)=O)c2)c(C)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is UUZQAFBAGLXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-12-5-8-16(13(2)9-12)22-18(24)14-6-7-15(21)17(10-14)23-19(25)20(3,4)11-28(23,26)27/h5-10H,11H2,1-4H3,(H,22,24).
What are the key properties of 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 420.92 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 42348615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).