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

C23H28N4O6S — CID 2158975

IUPACN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1
InChIInChI=1S/C23H28N4O6S/c1-5-11-27(12-6-2)34(29,30)20-9-7-16(8-10-20)21(28)24-23-26-25-22(33-23)17-13-18(31-3)15-19(14-17)32-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26,28)
InChIKeySUFOPRMZJLNZFJ-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.82
Rot. Bonds11

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

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 2158975) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
PubChem CID2158975
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1
InChIInChI=1S/C23H28N4O6S/c1-5-11-27(12-6-2)34(29,30)20-9-7-16(8-10-20)21(28)24-23-26-25-22(33-23)17-13-18(31-3)15-19(14-17)32-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26,28)
InChIKeySUFOPRMZJLNZFJ-UHFFFAOYSA-N
XLogP3.82
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide (CID 2158975) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is SUFOPRMZJLNZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-5-11-27(12-6-2)34(29,30)20-9-7-16(8-10-20)21(28)24-23-26-25-22(33-23)17-13-18(31-3)15-19(14-17)32-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26,28).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide?
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 488.57 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 2158975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).