N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide

C21H24N4O4S — CID 132668373

IUPACN-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc(-c2noc(CN(C)C(=O)C(C)N(c3ccccc3)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C21H24N4O4S/c1-15-10-12-17(13-11-15)20-22-19(29-23-20)14-24(3)21(26)16(2)25(30(4,27)28)18-8-6-5-7-9-18/h5-13,16H,14H2,1-4H3
InChIKeyMARDSOASMVJFSL-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.86
Rot. Bonds7

About N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide

N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 132668373) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID132668373
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc(-c2noc(CN(C)C(=O)C(C)N(c3ccccc3)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C21H24N4O4S/c1-15-10-12-17(13-11-15)20-22-19(29-23-20)14-24(3)21(26)16(2)25(30(4,27)28)18-8-6-5-7-9-18/h5-13,16H,14H2,1-4H3
InChIKeyMARDSOASMVJFSL-UHFFFAOYSA-N
XLogP2.86
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132669482
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 132674600
N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132666214
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-yloxypropanamide
CID 132661531
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
(2S)-2-(3,5-dimethylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267542
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 1259410
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide (CID 132668373) is N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide is Cc1ccc(-c2noc(CN(C)C(=O)C(C)N(c3ccccc3)S(C)(=O)=O)n2)cc1.
What is the InChIKey of N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is MARDSOASMVJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-15-10-12-17(13-11-15)20-22-19(29-23-20)14-24(3)21(26)16(2)25(30(4,27)28)18-8-6-5-7-9-18/h5-13,16H,14H2,1-4H3.
What are the key properties of N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide?
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 428.51 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132668373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).