N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

C18H17ClN4O4S2 — CID 2057816

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H17ClN4O4S2/c19-15-9-8-14(28-15)17-21-22-18(27-17)20-16(24)12-4-6-13(7-5-12)29(25,26)23-10-2-1-3-11-23/h4-9H,1-3,10-11H2,(H,20,22,24)
InChIKeySSUMSAYZXLZZLU-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.88
Rot. Bonds5

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2057816) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2057816
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H17ClN4O4S2/c19-15-9-8-14(28-15)17-21-22-18(27-17)20-16(24)12-4-6-13(7-5-12)29(25,26)23-10-2-1-3-11-23/h4-9H,1-3,10-11H2,(H,20,22,24)
InChIKeySSUMSAYZXLZZLU-UHFFFAOYSA-N
XLogP3.88
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 2057816) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SSUMSAYZXLZZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c19-15-9-8-14(28-15)17-21-22-18(27-17)20-16(24)12-4-6-13(7-5-12)29(25,26)23-10-2-1-3-11-23/h4-9H,1-3,10-11H2,(H,20,22,24).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 452.95 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2057816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).