N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C22H27N3O7S — CID 16825524

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H27N3O7S/c1-30-17-5-3-16(4-6-17)11-12-23-21(26)22(27)24-15-20-25(13-14-32-20)33(28,29)19-9-7-18(31-2)8-10-19/h3-10,20H,11-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVMYTWPHQWYKERG-UHFFFAOYSA-N
MW477.54 g/mol
LogP0.53
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 16825524) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID16825524
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H27N3O7S/c1-30-17-5-3-16(4-6-17)11-12-23-21(26)22(27)24-15-20-25(13-14-32-20)33(28,29)19-9-7-18(31-2)8-10-19/h3-10,20H,11-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVMYTWPHQWYKERG-UHFFFAOYSA-N
XLogP0.53
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 16825524) is N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is COc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is VMYTWPHQWYKERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S/c1-30-17-5-3-16(4-6-17)11-12-23-21(26)22(27)24-15-20-25(13-14-32-20)33(28,29)19-9-7-18(31-2)8-10-19/h3-10,20H,11-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 477.54 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 16825524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).