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

C20H22N4O4S — CID 6494974

IUPACN-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
InChIInChI=1S/C20H22N4O4S/c1-14(2)24(13-19-22-20(23-28-19)16-7-5-4-6-8-16)29(26,27)18-11-9-17(10-12-18)21-15(3)25/h4-12,14H,13H2,1-3H3,(H,21,25)
InChIKeyZJRAWQHHSVKXNV-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.29
Rot. Bonds7

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

N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide (PubChem CID 6494974) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
PubChem CID6494974
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
InChIInChI=1S/C20H22N4O4S/c1-14(2)24(13-19-22-20(23-28-19)16-7-5-4-6-8-16)29(26,27)18-11-9-17(10-12-18)21-15(3)25/h4-12,14H,13H2,1-3H3,(H,21,25)
InChIKeyZJRAWQHHSVKXNV-UHFFFAOYSA-N
XLogP3.29
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]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

N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 1259410
N-[(2S)-butan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154516
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-di(propan-2-yl)benzenesulfonamide
CID 30154634
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1-propan-2-ylurea
CID 17275377
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 8836130
N-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]acetamide
CID 17101470
4-[1-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethyl]benzenesulfonamide
CID 42918150
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide (CID 6494974) is N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1.
What is the InChIKey of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide?
The InChIKey is ZJRAWQHHSVKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14(2)24(13-19-22-20(23-28-19)16-7-5-4-6-8-16)29(26,27)18-11-9-17(10-12-18)21-15(3)25/h4-12,14H,13H2,1-3H3,(H,21,25).
What are the key properties of N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide?
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6494974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).