N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide

C16H22N4O4S — CID 131940796

IUPACN-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N(C)Cc2noc(CC(C)C)n2)c1
InChIInChI=1S/C16H22N4O4S/c1-11(2)8-16-18-15(19-24-16)10-20(4)25(22,23)14-7-5-6-13(9-14)17-12(3)21/h5-7,9,11H,8,10H2,1-4H3,(H,17,21)
InChIKeyMHUVRAHSZRBMLK-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.05
Rot. Bonds7

About N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide

N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide (PubChem CID 131940796) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide
PubChem CID131940796
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N(C)Cc2noc(CC(C)C)n2)c1
InChIInChI=1S/C16H22N4O4S/c1-11(2)8-16-18-15(19-24-16)10-20(4)25(22,23)14-7-5-6-13(9-14)17-12(3)21/h5-7,9,11H,8,10H2,1-4H3,(H,17,21)
InChIKeyMHUVRAHSZRBMLK-UHFFFAOYSA-N
XLogP2.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 131927369
N-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]phenyl]acetamide
CID 131908318
N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72871125
methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate
CID 46996051
4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 120867320
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 120750559
N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91833131
N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100606261

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide (CID 131940796) is N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)N(C)Cc2noc(CC(C)C)n2)c1.
What is the InChIKey of N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is MHUVRAHSZRBMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11(2)8-16-18-15(19-24-16)10-20(4)25(22,23)14-7-5-6-13(9-14)17-12(3)21/h5-7,9,11H,8,10H2,1-4H3,(H,17,21).
What are the key properties of N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide?
N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 131940796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).