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

C18H23N3O4S — CID 46394515

IUPACN-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-5-12(2)21-26(23,24)16-9-6-15(7-10-16)8-11-17-18(19-14(4)22)13(3)20-25-17/h6-12,21H,5H2,1-4H3,(H,19,22)/b11-8-
InChIKeyKJZAQAYJVDZJIN-FLIBITNWSA-N
MW377.47 g/mol
LogP3.19
Rot. Bonds7

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

N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394515) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394515
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-5-12(2)21-26(23,24)16-9-6-15(7-10-16)8-11-17-18(19-14(4)22)13(3)20-25-17/h6-12,21H,5H2,1-4H3,(H,19,22)/b11-8-
InChIKeyKJZAQAYJVDZJIN-FLIBITNWSA-N
XLogP3.19
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394515) is N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is CCC(C)NS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is KJZAQAYJVDZJIN-FLIBITNWSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-5-12(2)21-26(23,24)16-9-6-15(7-10-16)8-11-17-18(19-14(4)22)13(3)20-25-17/h6-12,21H,5H2,1-4H3,(H,19,22)/b11-8-.
What are the key properties of N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-(butan-2-ylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).