4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H26N4O5S — CID 2158928

IUPAC4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C22H26N4O5S/c1-4-13-26(14-5-2)32(28,29)19-11-9-16(10-12-19)20(27)23-22-25-24-21(31-22)17-7-6-8-18(15-17)30-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,25,27)
InChIKeyARFCZYBMMZZYSG-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.81
Rot. Bonds10

About 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2158928) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2158928
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C22H26N4O5S/c1-4-13-26(14-5-2)32(28,29)19-11-9-16(10-12-19)20(27)23-22-25-24-21(31-22)17-7-6-8-18(15-17)30-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,25,27)
InChIKeyARFCZYBMMZZYSG-UHFFFAOYSA-N
XLogP3.81
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2158928) is 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ARFCZYBMMZZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-4-13-26(14-5-2)32(28,29)19-11-9-16(10-12-19)20(27)23-22-25-24-21(31-22)17-7-6-8-18(15-17)30-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,25,27).
What are the key properties of 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 458.54 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2158928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).