N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide

C23H25ClN4O4S — CID 15983424

IUPACN-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)Cc4ccccc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C23H25ClN4O4S/c1-2-19-14-26-23(32-19)18-12-20(24)21(25-13-18)28-10-8-17(9-11-28)22(29)27-33(30,31)15-16-6-4-3-5-7-16/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,29)
InChIKeyLZYALNMJKMYPCI-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.82
Rot. Bonds7

About N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide

N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 15983424) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID15983424
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC NameN-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)Cc4ccccc4)CC3)c(Cl)c2)o1
InChIInChI=1S/C23H25ClN4O4S/c1-2-19-14-26-23(32-19)18-12-20(24)21(25-13-18)28-10-8-17(9-11-28)22(29)27-33(30,31)15-16-6-4-3-5-7-16/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,29)
InChIKeyLZYALNMJKMYPCI-UHFFFAOYSA-N
XLogP3.82
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 15983424) is N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide is CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)Cc4ccccc4)CC3)c(Cl)c2)o1.
What is the InChIKey of N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LZYALNMJKMYPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-2-19-14-26-23(32-19)18-12-20(24)21(25-13-18)28-10-8-17(9-11-28)22(29)27-33(30,31)15-16-6-4-3-5-7-16/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,29).
What are the key properties of N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 15983424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).