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

C20H22N2O4S — CID 26824321

IUPACN-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-4-15-7-5-6-13(2)18(15)21-19(23)16-8-10-17(11-9-16)22-20(24)14(3)12-27(22,25)26/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyMICOHWMYVPXRFB-CQSZACIVSA-N
MW386.47 g/mol
LogP3.12
Rot. Bonds4

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

N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (PubChem CID 26824321) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
PubChem CID26824321
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-4-15-7-5-6-13(2)18(15)21-19(23)16-8-10-17(11-9-16)22-20(24)14(3)12-27(22,25)26/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyMICOHWMYVPXRFB-CQSZACIVSA-N
XLogP3.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
N-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
CID 42349852
N-(4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996699
N-(2-tert-butylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824340
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
CID 26824324

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (CID 26824321) is N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is CCc1cccc(C)c1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The InChIKey is MICOHWMYVPXRFB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-15-7-5-6-13(2)18(15)21-19(23)16-8-10-17(11-9-16)22-20(24)14(3)12-27(22,25)26/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
N-(2-ethyl-6-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.12, 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-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 26824321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).