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

C18H22N2O4S — CID 1261030

IUPAC1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C18H22N2O4S/c1-2-24-16-7-8-17(15-6-4-3-5-14(15)16)25(22,23)20-11-9-13(10-12-20)18(19)21/h3-8,13H,2,9-12H2,1H3,(H2,19,21)
InChIKeyVDMQMGVADQHYAC-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.12
Rot. Bonds5

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

1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 1261030) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID1261030
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12
InChIInChI=1S/C18H22N2O4S/c1-2-24-16-7-8-17(15-6-4-3-5-14(15)16)25(22,23)20-11-9-13(10-12-20)18(19)21/h3-8,13H,2,9-12H2,1H3,(H2,19,21)
InChIKeyVDMQMGVADQHYAC-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide (CID 1261030) is 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12.
What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is VDMQMGVADQHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-24-16-7-8-17(15-6-4-3-5-14(15)16)25(22,23)20-11-9-13(10-12-20)18(19)21/h3-8,13H,2,9-12H2,1H3,(H2,19,21).
What are the key properties of 1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide?
1-(4-ethoxynaphthalen-1-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-(4-ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1261030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).