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

C27H26N2O5S — CID 50790892

IUPACN-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)S2(=O)=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-17-5-14-24(18(2)15-17)28-26(30)22-8-6-20(7-9-22)16-29-27(31)19(3)25(35(29,32)33)21-10-12-23(34-4)13-11-21/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyGDVZISUIBXXJPB-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.67
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide (PubChem CID 50790892) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
PubChem CID50790892
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC NameN-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)S2(=O)=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-17-5-14-24(18(2)15-17)28-26(30)22-8-6-20(7-9-22)16-29-27(31)19(3)25(35(29,32)33)21-10-12-23(34-4)13-11-21/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyGDVZISUIBXXJPB-UHFFFAOYSA-N
XLogP4.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-[[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 46338154
N-(2-ethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790862
N-(2,5-dimethylphenyl)-4-[[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 46338153
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000124
N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
CID 50790928
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-(3-phenylpropyl)benzamide
CID 50790852
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
4-[[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 46261079
N-(2,4-dimethoxyphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000195

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide (CID 50790892) is N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide is COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)S2(=O)=O)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The InChIKey is GDVZISUIBXXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-17-5-14-24(18(2)15-17)28-26(30)22-8-6-20(7-9-22)16-29-27(31)19(3)25(35(29,32)33)21-10-12-23(34-4)13-11-21/h5-15H,16H2,1-4H3,(H,28,30).
What are the key properties of N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
N-(2,4-dimethylphenyl)-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 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 50790892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).