4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C22H24N4O5S — CID 146099349

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCc1nc(COc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)no1
InChIInChI=1S/C22H24N4O5S/c1-2-21-24-20(25-31-21)15-30-18-9-5-16(6-10-18)22(27)23-17-7-11-19(12-8-17)32(28,29)26-13-3-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,23,27)
InChIKeyFSHIFKPZMUUSCQ-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.25
Rot. Bonds8

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 146099349) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID146099349
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCc1nc(COc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)no1
InChIInChI=1S/C22H24N4O5S/c1-2-21-24-20(25-31-21)15-30-18-9-5-16(6-10-18)22(27)23-17-7-11-19(12-8-17)32(28,29)26-13-3-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,23,27)
InChIKeyFSHIFKPZMUUSCQ-UHFFFAOYSA-N
XLogP3.25
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide 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-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681564
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
3-(4-ethylphenyl)-5-[(4-piperidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 60597298
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 108807916

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 146099349) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCc1nc(COc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is FSHIFKPZMUUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-2-21-24-20(25-31-21)15-30-18-9-5-16(6-10-18)22(27)23-17-7-11-19(12-8-17)32(28,29)26-13-3-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,23,27).
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 456.52 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 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 146099349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).