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

C19H28N4O4S — CID 2155600

IUPAC4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1
InChIInChI=1S/C19H28N4O4S/c1-6-17-21-22-19(27-17)20-18(24)15-7-9-16(10-8-15)28(25,26)23(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,22,24)
InChIKeyZTQOJVOHGPVCBR-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.19
Rot. Bonds9

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

4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2155600) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2155600
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1
InChIInChI=1S/C19H28N4O4S/c1-6-17-21-22-19(27-17)20-18(24)15-7-9-16(10-8-15)28(25,26)23(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,22,24)
InChIKeyZTQOJVOHGPVCBR-UHFFFAOYSA-N
XLogP3.19
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2155600) is 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1.
What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ZTQOJVOHGPVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-6-17-21-22-19(27-17)20-18(24)15-7-9-16(10-8-15)28(25,26)23(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,22,24).
What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2155600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).