1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide

C25H23N3O4S — CID 55834624

IUPAC1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H23N3O4S/c29-25(27-22-7-3-6-21(14-22)24-16-26-17-32-24)19-10-12-28(13-11-19)33(30,31)23-9-8-18-4-1-2-5-20(18)15-23/h1-9,14-17,19H,10-13H2,(H,27,29)
InChIKeySIPKYWPKSCWCPQ-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.53
Rot. Bonds5

About 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 55834624) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID55834624
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H23N3O4S/c29-25(27-22-7-3-6-21(14-22)24-16-26-17-32-24)19-10-12-28(13-11-19)33(30,31)23-9-8-18-4-1-2-5-20(18)15-23/h1-9,14-17,19H,10-13H2,(H,27,29)
InChIKeySIPKYWPKSCWCPQ-UHFFFAOYSA-N
XLogP4.53
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834748
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26532315
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986715
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26218792
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide (CID 55834624) is 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cnco2)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is SIPKYWPKSCWCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c29-25(27-22-7-3-6-21(14-22)24-16-26-17-32-24)19-10-12-28(13-11-19)33(30,31)23-9-8-18-4-1-2-5-20(18)15-23/h1-9,14-17,19H,10-13H2,(H,27,29).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55834624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).