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

C19H20N2O4S — CID 20996561

IUPACN-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-14-6-4-5-13(2)18(14)20-19(23)15-7-9-16(10-8-15)21-17(22)11-12-26(21,24)25/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyFSZWBXWCZSDHPH-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.88
Rot. Bonds4

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

N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996561) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20996561
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-14-6-4-5-13(2)18(14)20-19(23)15-7-9-16(10-8-15)21-17(22)11-12-26(21,24)25/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyFSZWBXWCZSDHPH-UHFFFAOYSA-N
XLogP2.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824321
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 20997281
2-ethoxy-N-(2-ethyl-6-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005687
N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996594
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006820
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82092277
N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006832
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 42348649

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996561) is N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is FSZWBXWCZSDHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-14-6-4-5-13(2)18(14)20-19(23)15-7-9-16(10-8-15)21-17(22)11-12-26(21,24)25/h4-10H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).