N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C23H27FN2O3S2 — CID 32558972

IUPACN-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O3S2/c24-19-9-3-6-12-22(19)31(28,29)26-15-13-17(14-16-26)23(27)25-20-10-4-5-11-21(20)30-18-7-1-2-8-18/h3-6,9-12,17-18H,1-2,7-8,13-16H2,(H,25,27)
InChIKeyVMMAHTDOGQUIAH-UHFFFAOYSA-N
MW462.61 g/mol
LogP4.90
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 32558972) has the molecular formula C23H27FN2O3S2 and a molecular weight of 462.61 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID32558972
Molecular FormulaC23H27FN2O3S2
Molecular Weight462.61 g/mol
Exact Mass462.14
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O3S2/c24-19-9-3-6-12-22(19)31(28,29)26-15-13-17(14-16-26)23(27)25-20-10-4-5-11-21(20)30-18-7-1-2-8-18/h3-6,9-12,17-18H,1-2,7-8,13-16H2,(H,25,27)
InChIKeyVMMAHTDOGQUIAH-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 32559118
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32559066
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
methyl 2-[4-[(2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 8780417
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55690179
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 32558972) is N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccccc1SC1CCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is VMMAHTDOGQUIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S2/c24-19-9-3-6-12-22(19)31(28,29)26-15-13-17(14-16-26)23(27)25-20-10-4-5-11-21(20)30-18-7-1-2-8-18/h3-6,9-12,17-18H,1-2,7-8,13-16H2,(H,25,27).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 462.61 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 32558972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).