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

C17H24N4O4S — CID 72923304

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
SMILESCCc1nnc(CNS(=O)(=O)c2cccc(C(=O)N(C)CC(C)C)c2)o1
InChIInChI=1S/C17H24N4O4S/c1-5-15-19-20-16(25-15)10-18-26(23,24)14-8-6-7-13(9-14)17(22)21(4)11-12(2)3/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyVCNXZRLKGNDQKL-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.84
Rot. Bonds8

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

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 72923304) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID72923304
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
SMILESCCc1nnc(CNS(=O)(=O)c2cccc(C(=O)N(C)CC(C)C)c2)o1
InChIInChI=1S/C17H24N4O4S/c1-5-15-19-20-16(25-15)10-18-26(23,24)14-8-6-7-13(9-14)17(22)21(4)11-12(2)3/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyVCNXZRLKGNDQKL-UHFFFAOYSA-N
XLogP1.84
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
CID 77089087
2-[[3-[ethyl(methyl)carbamoyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122067792
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 71912536
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
CID 42951938
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide (CID 72923304) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide is CCc1nnc(CNS(=O)(=O)c2cccc(C(=O)N(C)CC(C)C)c2)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is VCNXZRLKGNDQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-5-15-19-20-16(25-15)10-18-26(23,24)14-8-6-7-13(9-14)17(22)21(4)11-12(2)3/h6-9,12,18H,5,10-11H2,1-4H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 72923304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).