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

C20H22N4O4S — CID 53055827

IUPACN-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-19(25)21-16-9-11-17(12-10-16)29(26,27)24(2)14-13-18-22-20(28-23-18)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,25)
InChIKeyFMJBGZUYLBCOQX-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.95
Rot. Bonds8

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

N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide (PubChem CID 53055827) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
PubChem CID53055827
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-19(25)21-16-9-11-17(12-10-16)29(26,27)24(2)14-13-18-22-20(28-23-18)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,25)
InChIKeyFMJBGZUYLBCOQX-UHFFFAOYSA-N
XLogP2.95
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide 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

N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627575
4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055857
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 46353506
1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-phenylurea
CID 53055270
N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
4-cyclohexyl-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055927

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide (CID 53055827) is N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is FMJBGZUYLBCOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-19(25)21-16-9-11-17(12-10-16)29(26,27)24(2)14-13-18-22-20(28-23-18)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,25).
What are the key properties of N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide?
N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 414.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 53055827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).