N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide

C27H26N2O5S — CID 50790862

IUPACN-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-4-20-7-5-6-8-24(20)28-26(30)22-11-9-19(10-12-22)17-29-27(31)18(2)25(35(29,32)33)21-13-15-23(34-3)16-14-21/h5-16H,4,17H2,1-3H3,(H,28,30)
InChIKeyGDUJXCVIDGFGFA-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.61
Rot. Bonds7

About N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide

N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide (PubChem CID 50790862) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
PubChem CID50790862
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC NameN-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-4-20-7-5-6-8-24(20)28-26(30)22-11-9-19(10-12-22)17-29-27(31)18(2)25(35(29,32)33)21-13-15-23(34-3)16-14-21/h5-16H,4,17H2,1-3H3,(H,28,30)
InChIKeyGDUJXCVIDGFGFA-UHFFFAOYSA-N
XLogP4.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790892
N-(2,5-dimethylphenyl)-4-[[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 46338153
4-[[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 46338167
4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-ethylphenyl)benzamide
CID 53135720
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
N-(2,4-dimethoxyphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000195
N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790928
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(2-ethylphenyl)benzamide
CID 1194962
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
ethyl [4-[[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931523
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide (CID 50790862) is N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide is CCc1ccccc1NC(=O)c1ccc(CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The InChIKey is GDUJXCVIDGFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-4-20-7-5-6-8-24(20)28-26(30)22-11-9-19(10-12-22)17-29-27(31)18(2)25(35(29,32)33)21-13-15-23(34-3)16-14-21/h5-16H,4,17H2,1-3H3,(H,28,30).
What are the key properties of N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide has a molecular weight of 490.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 50790862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).