N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

C24H28N2O7S — CID 3237345

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3cc(OC)ccc3OC)c(C)o2)cc1
InChIInChI=1S/C24H28N2O7S/c1-16-21(26-24(33-16)17-5-7-19(30-2)8-6-17)14-34(28,29)15-23(27)25-12-11-18-13-20(31-3)9-10-22(18)32-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27)
InChIKeyQOGTVSLRCXZCNO-UHFFFAOYSA-N
MW488.56 g/mol
LogP2.95
Rot. Bonds11

About N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 3237345) has the molecular formula C24H28N2O7S and a molecular weight of 488.56 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID3237345
Molecular FormulaC24H28N2O7S
Molecular Weight488.56 g/mol
Exact Mass488.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3cc(OC)ccc3OC)c(C)o2)cc1
InChIInChI=1S/C24H28N2O7S/c1-16-21(26-24(33-16)17-5-7-19(30-2)8-6-17)14-34(28,29)15-23(27)25-12-11-18-13-20(31-3)9-10-22(18)32-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27)
InChIKeyQOGTVSLRCXZCNO-UHFFFAOYSA-N
XLogP2.95
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 3237345) is N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3cc(OC)ccc3OC)c(C)o2)cc1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is QOGTVSLRCXZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7S/c1-16-21(26-24(33-16)17-5-7-19(30-2)8-6-17)14-34(28,29)15-23(27)25-12-11-18-13-20(31-3)9-10-22(18)32-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 488.56 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 3237345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).