N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C23H29FN2O4S — CID 55977241

IUPACN-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C23H29FN2O4S/c1-3-4-15-30-19-9-10-21(17(2)16-19)25-23(27)18-11-13-26(14-12-18)31(28,29)22-8-6-5-7-20(22)24/h5-10,16,18H,3-4,11-15H2,1-2H3,(H,25,27)
InChIKeyFFIVPENCHCSYGM-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.35
Rot. Bonds8

About N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55977241) has the molecular formula C23H29FN2O4S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55977241
Molecular FormulaC23H29FN2O4S
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C23H29FN2O4S/c1-3-4-15-30-19-9-10-21(17(2)16-19)25-23(27)18-11-13-26(14-12-18)31(28,29)22-8-6-5-7-20(22)24/h5-10,16,18H,3-4,11-15H2,1-2H3,(H,25,27)
InChIKeyFFIVPENCHCSYGM-UHFFFAOYSA-N
XLogP4.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.35
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-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 27040123
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
N-(5-chloro-2-phenoxyphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26185187
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 119739406

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55977241) is N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FFIVPENCHCSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4S/c1-3-4-15-30-19-9-10-21(17(2)16-19)25-23(27)18-11-13-26(14-12-18)31(28,29)22-8-6-5-7-20(22)24/h5-10,16,18H,3-4,11-15H2,1-2H3,(H,25,27).
What are the key properties of N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55977241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).