(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide

C17H20N2O4S — CID 39632861

IUPAC(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c2ccccc12
InChIInChI=1S/C17H20N2O4S/c1-23-15-9-10-16(13-7-3-2-6-12(13)15)24(21,22)19-11-5-4-8-14(19)17(18)20/h2-3,6-7,9-10,14H,4-5,8,11H2,1H3,(H2,18,20)/t14-/m1/s1
InChIKeyIJMLXFFLDNQFJV-CQSZACIVSA-N
MW348.42 g/mol
LogP1.88
Rot. Bonds4

About (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide

(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 39632861) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
PubChem CID39632861
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c2ccccc12
InChIInChI=1S/C17H20N2O4S/c1-23-15-9-10-16(13-7-3-2-6-12(13)15)24(21,22)19-11-5-4-8-14(19)17(18)20/h2-3,6-7,9-10,14H,4-5,8,11H2,1H3,(H2,18,20)/t14-/m1/s1
InChIKeyIJMLXFFLDNQFJV-CQSZACIVSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
CID 115279294
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
CID 81442189
(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
CID 760946
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 4985773
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43096916

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide (CID 39632861) is (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c2ccccc12.
What is the InChIKey of (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is IJMLXFFLDNQFJV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-15-9-10-16(13-7-3-2-6-12(13)15)24(21,22)19-11-5-4-8-14(19)17(18)20/h2-3,6-7,9-10,14H,4-5,8,11H2,1H3,(H2,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide?
(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 39632861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).