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

C25H31N3O5S — CID 16622288

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C25H31N3O5S/c1-6-28(7-2)34(30,31)20-13-14-23(32-17(3)4)22(15-20)26-24(29)16-21-18(5)33-25(27-21)19-11-9-8-10-12-19/h8-15,17H,6-7,16H2,1-5H3,(H,26,29)
InChIKeyDDWBZULKUCIBCV-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.65
Rot. Bonds10

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

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 16622288) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID16622288
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C25H31N3O5S/c1-6-28(7-2)34(30,31)20-13-14-23(32-17(3)4)22(15-20)26-24(29)16-21-18(5)33-25(27-21)19-11-9-8-10-12-19/h8-15,17H,6-7,16H2,1-5H3,(H,26,29)
InChIKeyDDWBZULKUCIBCV-UHFFFAOYSA-N
XLogP4.65
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 16622288) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is DDWBZULKUCIBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-6-28(7-2)34(30,31)20-13-14-23(32-17(3)4)22(15-20)26-24(29)16-21-18(5)33-25(27-21)19-11-9-8-10-12-19/h8-15,17H,6-7,16H2,1-5H3,(H,26,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 485.61 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 16622288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).