N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C18H23N3O5S — CID 46394113

IUPACN-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCCCNS(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1OC
InChIInChI=1S/C18H23N3O5S/c1-5-10-19-27(23,24)17-11-14(6-8-15(17)25-4)7-9-16-18(20-13(3)22)12(2)21-26-16/h6-9,11,19H,5,10H2,1-4H3,(H,20,22)/b9-7-
InChIKeyXAHWSZXQHLKNQU-CLFYSBASSA-N
MW393.47 g/mol
LogP2.81
Rot. Bonds8

About N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394113) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394113
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCCCNS(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1OC
InChIInChI=1S/C18H23N3O5S/c1-5-10-19-27(23,24)17-11-14(6-8-15(17)25-4)7-9-16-18(20-13(3)22)12(2)21-26-16/h6-9,11,19H,5,10H2,1-4H3,(H,20,22)/b9-7-
InChIKeyXAHWSZXQHLKNQU-CLFYSBASSA-N
XLogP2.81
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394113) is N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is CCCNS(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1OC.
What is the InChIKey of N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is XAHWSZXQHLKNQU-CLFYSBASSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-5-10-19-27(23,24)17-11-14(6-8-15(17)25-4)7-9-16-18(20-13(3)22)12(2)21-26-16/h6-9,11,19H,5,10H2,1-4H3,(H,20,22)/b9-7-.
What are the key properties of N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).