N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide

C20H20N4O4S — CID 78850471

IUPACN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H20N4O4S/c25-19(22-16-8-6-7-15(13-16)20-23-21-14-28-20)17-9-2-3-10-18(17)29(26,27)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,25)
InChIKeySTROTNWMZLKJIL-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.16
Rot. Bonds5

About N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 78850471) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID78850471
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H20N4O4S/c25-19(22-16-8-6-7-15(13-16)20-23-21-14-28-20)17-9-2-3-10-18(17)29(26,27)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,25)
InChIKeySTROTNWMZLKJIL-UHFFFAOYSA-N
XLogP3.16
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 30823369
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55727718
4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55961764
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55333075
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 51644587
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2-methyl-6-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27006276

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide (CID 78850471) is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(-c2nnco2)c1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is STROTNWMZLKJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-19(22-16-8-6-7-15(13-16)20-23-21-14-28-20)17-9-2-3-10-18(17)29(26,27)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,25).
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 412.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78850471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).