N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C22H24N4O4S — CID 43973728

IUPACN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
InChIInChI=1S/C22H24N4O4S/c1-2-16-5-7-17(8-6-16)15-20-24-25-22(30-20)23-21(27)18-9-11-19(12-10-18)31(28,29)26-13-3-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,23,25,27)
InChIKeyLGAPIAJHIREQDO-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.26
Rot. Bonds7

About N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 43973728) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID43973728
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
InChIInChI=1S/C22H24N4O4S/c1-2-16-5-7-17(8-6-16)15-20-24-25-22(30-20)23-21(27)18-9-11-19(12-10-18)31(28,29)26-13-3-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,23,25,27)
InChIKeyLGAPIAJHIREQDO-UHFFFAOYSA-N
XLogP3.26
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973184
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43973998
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973737
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43973183
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 41179060
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 43973222
N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2051233
4-acetyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973731
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975096
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974579
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 43973728) is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is CCc1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1.
What is the InChIKey of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LGAPIAJHIREQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-2-16-5-7-17(8-6-16)15-20-24-25-22(30-20)23-21(27)18-9-11-19(12-10-18)31(28,29)26-13-3-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,23,25,27).
What are the key properties of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 440.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43973728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).