4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide

C21H23ClN2O4S — CID 42348649

IUPAC4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C21H23ClN2O4S/c1-5-14-8-6-7-13(2)18(14)23-19(25)15-9-10-16(22)17(11-15)24-20(26)21(3,4)12-29(24,27)28/h6-11H,5,12H2,1-4H3,(H,23,25)
InChIKeyATUZQVMNSVYZDN-UHFFFAOYSA-N
MW434.95 g/mol
LogP4.17
Rot. Bonds4

About 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide

4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 42348649) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID42348649
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2C(=O)C(C)(C)CS2(=O)=O)c1
InChIInChI=1S/C21H23ClN2O4S/c1-5-14-8-6-7-13(2)18(14)23-19(25)15-9-10-16(22)17(11-15)24-20(26)21(3,4)12-29(24,27)28/h6-11H,5,12H2,1-4H3,(H,23,25)
InChIKeyATUZQVMNSVYZDN-UHFFFAOYSA-N
XLogP4.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 54.17
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
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 20997281
4-chloro-N-(2,4-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42348615
N-(2,6-dimethylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997277
N-(2,6-dichlorophenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007488
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 20997286
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 42348348
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-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824321
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-3-methylbenzoyl chloride
CID 16642616
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide (CID 42348649) is 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2C(=O)C(C)(C)CS2(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is ATUZQVMNSVYZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-5-14-8-6-7-13(2)18(14)23-19(25)15-9-10-16(22)17(11-15)24-20(26)21(3,4)12-29(24,27)28/h6-11H,5,12H2,1-4H3,(H,23,25).
What are the key properties of 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide?
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 434.95 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 42348649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).