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

C26H24N2O5S — CID 46277792

IUPAC4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-9-14-24(32-3)22(15-17)27-25(29)19-10-12-20(13-11-19)26-28-23(18(2)33-26)16-34(30,31)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyXXISXTSNIGILQK-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.19
Rot. Bonds7

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

4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 46277792) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID46277792
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C26H24N2O5S/c1-17-9-14-24(32-3)22(15-17)27-25(29)19-10-12-20(13-11-19)26-28-23(18(2)33-26)16-34(30,31)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyXXISXTSNIGILQK-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

Analyze 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)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-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-(4-chloro-2-methylphenyl)benzamide
CID 46277766
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 20917014
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742
N-(3,5-dimethylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277752
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471936
N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 20917018
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 20917007

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide (CID 46277792) is 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)c(C)o2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is XXISXTSNIGILQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-17-9-14-24(32-3)22(15-17)27-25(29)19-10-12-20(13-11-19)26-28-23(18(2)33-26)16-34(30,31)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide?
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)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 4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 46277792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).