N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide

C22H23ClN4O4S — CID 50837228

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C22H23ClN4O4S/c23-18-8-4-16(5-9-18)12-13-24-20(28)22-26-25-21(31-22)17-6-10-19(11-7-17)32(29,30)27-14-2-1-3-15-27/h4-11H,1-3,12-15H2,(H,24,28)
InChIKeyXAQITQTXEFQBKT-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 50837228) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID50837228
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C22H23ClN4O4S/c23-18-8-4-16(5-9-18)12-13-24-20(28)22-26-25-21(31-22)17-6-10-19(11-7-17)32(29,30)27-14-2-1-3-15-27/h4-11H,1-3,12-15H2,(H,24,28)
InChIKeyXAQITQTXEFQBKT-UHFFFAOYSA-N
XLogP3.54
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-cycloheptyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 46393391
5-(4-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837184
N-[[(2R)-oxolan-2-yl]methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898470
N-[(2S)-butan-2-yl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 92898468
1-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-(4-chlorophenyl)urea
CID 108782131
N-[(3-methoxyphenyl)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837187
N-[3-(3-methylpiperidin-1-yl)propyl]-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837043
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2-chloro-6-fluorobenzamide
CID 108736474
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
N-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837208

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 50837228) is N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XAQITQTXEFQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c23-18-8-4-16(5-9-18)12-13-24-20(28)22-26-25-21(31-22)17-6-10-19(11-7-17)32(29,30)27-14-2-1-3-15-27/h4-11H,1-3,12-15H2,(H,24,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 474.97 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 50837228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).