1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H26N2O4S — CID 15943754

IUPAC1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C17H26N2O4S/c1-3-4-11-23-16-6-5-15(12-13(16)2)24(21,22)19-9-7-14(8-10-19)17(18)20/h5-6,12,14H,3-4,7-11H2,1-2H3,(H2,18,20)
InChIKeyJXSZGMXMOLEJLK-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.06
Rot. Bonds7

About 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide

1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 15943754) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID15943754
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C17H26N2O4S/c1-3-4-11-23-16-6-5-15(12-13(16)2)24(21,22)19-9-7-14(8-10-19)17(18)20/h5-6,12,14H,3-4,7-11H2,1-2H3,(H2,18,20)
InChIKeyJXSZGMXMOLEJLK-UHFFFAOYSA-N
XLogP2.06
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.06
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-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 43845691
1-(4-heptoxy-3-methylphenyl)sulfonylpiperidine
CID 43845535
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 6460118
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 91669896
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 15943754) is 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is CCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C.
What is the InChIKey of 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JXSZGMXMOLEJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-11-23-16-6-5-15(12-13(16)2)24(21,22)19-9-7-14(8-10-19)17(18)20/h5-6,12,14H,3-4,7-11H2,1-2H3,(H2,18,20).
What are the key properties of 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 15943754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).