N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide

C14H17N3O4S — CID 71789757

IUPACN-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1
InChIInChI=1S/C14H17N3O4S/c1-10-9-13(21-17-10)7-8-15-22(19,20)14-5-3-12(4-6-14)16-11(2)18/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyKJCHTKVEROGTIO-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.46
Rot. Bonds6

About N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 71789757) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID71789757
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1
InChIInChI=1S/C14H17N3O4S/c1-10-9-13(21-17-10)7-8-15-22(19,20)14-5-3-12(4-6-14)16-11(2)18/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyKJCHTKVEROGTIO-UHFFFAOYSA-N
XLogP1.46
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide (CID 71789757) is N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1.
What is the InChIKey of N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is KJCHTKVEROGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-9-13(21-17-10)7-8-15-22(19,20)14-5-3-12(4-6-14)16-11(2)18/h3-6,9,15H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methyl-1,2-oxazol-5-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71789757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).