N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide

C22H25N3O6S — CID 43975965

IUPACN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCOc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1OCC
InChIInChI=1S/C22H25N3O6S/c1-4-29-18-11-8-16(14-19(18)30-5-2)21-24-25-22(31-21)23-20(26)12-13-32(27,28)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25,26)
InChIKeyNDVKQCYZPJJZHN-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.64
Rot. Bonds10

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

N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 43975965) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID43975965
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCCOc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1OCC
InChIInChI=1S/C22H25N3O6S/c1-4-29-18-11-8-16(14-19(18)30-5-2)21-24-25-22(31-21)23-20(26)12-13-32(27,28)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25,26)
InChIKeyNDVKQCYZPJJZHN-UHFFFAOYSA-N
XLogP3.64
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43975968
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43975698
4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 41273101
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43978155
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide (CID 43975965) is N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide is CCOc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1OCC.
What is the InChIKey of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is NDVKQCYZPJJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-4-29-18-11-8-16(14-19(18)30-5-2)21-24-25-22(31-21)23-20(26)12-13-32(27,28)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25,26).
What are the key properties of N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 459.52 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 43975965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).