1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide

C17H20N2O4S — CID 849962

IUPAC1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C17H20N2O4S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)19-10-8-12(9-11-19)17(18)20/h2-7,12H,8-11H2,1H3,(H2,18,20)
InChIKeySAXDZFMGNPEAIS-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide

1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 849962) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID849962
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C17H20N2O4S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)19-10-8-12(9-11-19)17(18)20/h2-7,12H,8-11H2,1H3,(H2,18,20)
InChIKeySAXDZFMGNPEAIS-UHFFFAOYSA-N
XLogP1.73
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 776924
5-[(4-Methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
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1-(4-Methoxynaphthalen-1-yl)sulfonylpyrrolidine
CID 6471744
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874
1-(4-Methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 846975
2-({1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 1264393
N-[2-(4-morpholinyl)ethyl]-4-propoxy-1-naphthalenesulfonamide
CID 2239380
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CID 2295169

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide (CID 849962) is 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SAXDZFMGNPEAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)19-10-8-12(9-11-19)17(18)20/h2-7,12H,8-11H2,1H3,(H2,18,20).
What are the key properties of 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 849962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).