N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide

C20H21N3O5S — CID 16823725

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCOc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C20H21N3O5S/c1-14-5-11-17(12-6-14)29(25,26)13-3-4-18(24)21-20-23-22-19(28-20)15-7-9-16(27-2)10-8-15/h5-12H,3-4,13H2,1-2H3,(H,21,23,24)
InChIKeyUXMJBUVWBXVLBP-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.25
Rot. Bonds8

About N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 16823725) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID16823725
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCOc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C20H21N3O5S/c1-14-5-11-17(12-6-14)29(25,26)13-3-4-18(24)21-20-23-22-19(28-20)15-7-9-16(27-2)10-8-15/h5-12H,3-4,13H2,1-2H3,(H,21,23,24)
InChIKeyUXMJBUVWBXVLBP-UHFFFAOYSA-N
XLogP3.25
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
3-(4-methoxyphenyl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43972492
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273919
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
4-(4-methoxyphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 41273921
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273832
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44921833

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide (CID 16823725) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide is COc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is UXMJBUVWBXVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-14-5-11-17(12-6-14)29(25,26)13-3-4-18(24)21-20-23-22-19(28-20)15-7-9-16(27-2)10-8-15/h5-12H,3-4,13H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 415.47 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 16823725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).