N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide

C26H24N2O5S — CID 46277742

IUPACN-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(CS(=O)(=O)c4ccc(C)cc4)c(C)o3)cc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-4-14-23(15-5-17)34(30,31)16-24-18(2)33-26(28-24)20-8-6-19(7-9-20)25(29)27-21-10-12-22(32-3)13-11-21/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyCVSREIJOOMIJJV-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.19
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide

N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 46277742) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
PubChem CID46277742
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC NameN-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(CS(=O)(=O)c4ccc(C)cc4)c(C)o3)cc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-4-14-23(15-5-17)34(30,31)16-24-18(2)33-26(28-24)20-8-6-19(7-9-20)25(29)27-21-10-12-22(32-3)13-11-21/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyCVSREIJOOMIJJV-UHFFFAOYSA-N
XLogP5.19
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277752
N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277759
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 46277792
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 20917014
4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92690760
N-[3-(diethylamino)propyl]-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 20916943
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471936
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(4-chloro-2-methylphenyl)benzamide
CID 46277766
N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666
N-methyl-3-[[[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzoyl]amino]methyl]pyridine-2-carboxamide
CID 71471733
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277670

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide (CID 46277742) is N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide is COc1ccc(NC(=O)c2ccc(-c3nc(CS(=O)(=O)c4ccc(C)cc4)c(C)o3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is CVSREIJOOMIJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-17-4-14-23(15-5-17)34(30,31)16-24-18(2)33-26(28-24)20-8-6-19(7-9-20)25(29)27-21-10-12-22(32-3)13-11-21/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide?
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 476.55 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46277742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).