1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide

C18H22N2O4S — CID 25252531

IUPAC1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1
InChIInChI=1S/C18H22N2O4S/c1-2-24-16-5-3-15-12-17(6-4-14(15)11-16)25(22,23)20-9-7-13(8-10-20)18(19)21/h3-6,11-13H,2,7-10H2,1H3,(H2,19,21)
InChIKeyAKTPLXHEZOKQKF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.12
Rot. Bonds5

About 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide

1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 25252531) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID25252531
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1
InChIInChI=1S/C18H22N2O4S/c1-2-24-16-5-3-15-12-17(6-4-14(15)11-16)25(22,23)20-9-7-13(8-10-20)18(19)21/h3-6,11-13H,2,7-10H2,1H3,(H2,19,21)
InChIKeyAKTPLXHEZOKQKF-UHFFFAOYSA-N
XLogP2.12
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 43845691
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 166179095
(2,4-dichlorophenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55335218
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 50876354
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide (CID 25252531) is 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide is CCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1.
What is the InChIKey of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AKTPLXHEZOKQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-24-16-5-3-15-12-17(6-4-14(15)11-16)25(22,23)20-9-7-13(8-10-20)18(19)21/h3-6,11-13H,2,7-10H2,1H3,(H2,19,21).
What are the key properties of 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25252531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).