4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide

C18H24N4O6S — CID 2155612

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C18H24N4O6S/c1-26-11-9-22(10-12-27-2)29(24,25)15-7-5-13(6-8-15)16(23)19-18-21-20-17(28-18)14-3-4-14/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,21,23)
InChIKeyLWYGHCMJFFJCLG-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.48
Rot. Bonds11

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2155612) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2155612
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C18H24N4O6S/c1-26-11-9-22(10-12-27-2)29(24,25)15-7-5-13(6-8-15)16(23)19-18-21-20-17(28-18)14-3-4-14/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,21,23)
InChIKeyLWYGHCMJFFJCLG-UHFFFAOYSA-N
XLogP1.48
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2155679
4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155619
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3491426
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-((2-methylpiperidin-1-yl)sulfonyl)benzamide
CID 4294965
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(N-methyl-N-phenylsulfamoyl)benzamide
CID 2051141
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 2051160
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
CID 2051169
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051214
N-(5-(methoxymethyl)-1,3,4-oxadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2051227
4-(N,N-dimethylsulfamoyl)-N-(5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 2051259
4-(azepan-1-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051278

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2155612) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LWYGHCMJFFJCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6S/c1-26-11-9-22(10-12-27-2)29(24,25)15-7-5-13(6-8-15)16(23)19-18-21-20-17(28-18)14-3-4-14/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,21,23).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 1.48, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2155612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).