4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C19H28N4O4S — CID 49032493

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC(C)c1noc(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1
InChIInChI=1S/C19H28N4O4S/c1-13(2)18-21-17(27-22-18)7-6-12-20-19(24)15-8-10-16(11-9-15)28(25,26)23(5)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,24)
InChIKeyAWHICQZVQDTUTO-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.58
Rot. Bonds9

About 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 49032493) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID49032493
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCC(C)c1noc(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1
InChIInChI=1S/C19H28N4O4S/c1-13(2)18-21-17(27-22-18)7-6-12-20-19(24)15-8-10-16(11-9-15)28(25,26)23(5)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,24)
InChIKeyAWHICQZVQDTUTO-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
3-chloro-N-[2-oxo-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]ethyl]benzamide
CID 49084815
1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 49031740
N-methyl-N-propan-2-yl-4-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]benzamide
CID 55760328
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 49032493) is 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide is CC(C)c1noc(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is AWHICQZVQDTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-13(2)18-21-17(27-22-18)7-6-12-20-19(24)15-8-10-16(11-9-15)28(25,26)23(5)14(3)4/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,24).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 49032493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).