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

C20H26N2O4S — CID 43845691

IUPAC1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCCCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1
InChIInChI=1S/C20H26N2O4S/c1-2-3-12-26-18-6-4-17-14-19(7-5-16(17)13-18)27(24,25)22-10-8-15(9-11-22)20(21)23/h4-7,13-15H,2-3,8-12H2,1H3,(H2,21,23)
InChIKeyZPRXJAMNQGMEKU-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.90
Rot. Bonds7

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

1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 43845691) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID43845691
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCCCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1
InChIInChI=1S/C20H26N2O4S/c1-2-3-12-26-18-6-4-17-14-19(7-5-16(17)13-18)27(24,25)22-10-8-15(9-11-22)20(21)23/h4-7,13-15H,2-3,8-12H2,1H3,(H2,21,23)
InChIKeyZPRXJAMNQGMEKU-UHFFFAOYSA-N
XLogP2.90
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
ethyl 4-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 50876354
1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 54039969
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409
N-[4-(4-fluorophenoxy)butyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 42572161

Frequently Asked Questions

What is the IUPAC name of 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide (CID 43845691) is 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide is CCCCOc1ccc2cc(S(=O)(=O)N3CCC(C(N)=O)CC3)ccc2c1.
What is the InChIKey of 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZPRXJAMNQGMEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-2-3-12-26-18-6-4-17-14-19(7-5-16(17)13-18)27(24,25)22-10-8-15(9-11-22)20(21)23/h4-7,13-15H,2-3,8-12H2,1H3,(H2,21,23).
What are the key properties of 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide?
1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43845691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).