N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide

C22H25FN2O3S — CID 22751146

IUPACN-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H25FN2O3S/c23-21-10-8-19(9-11-21)14-17-29(27,28)24-22(26)25-15-12-20(13-16-25)7-6-18-4-2-1-3-5-18/h1-5,8-11,14,17,20H,6-7,12-13,15-16H2,(H,24,26)/b17-14+
InChIKeyYNBUYWPJICLJBM-SAPNQHFASA-N
MW416.52 g/mol
LogP4.18
Rot. Bonds6

About N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide

N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 22751146) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID22751146
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C22H25FN2O3S/c23-21-10-8-19(9-11-21)14-17-29(27,28)24-22(26)25-15-12-20(13-16-25)7-6-18-4-2-1-3-5-18/h1-5,8-11,14,17,20H,6-7,12-13,15-16H2,(H,24,26)/b17-14+
InChIKeyYNBUYWPJICLJBM-SAPNQHFASA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide (CID 22751146) is N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide is O=C(NS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is YNBUYWPJICLJBM-SAPNQHFASA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-21-10-8-19(9-11-21)14-17-29(27,28)24-22(26)25-15-12-20(13-16-25)7-6-18-4-2-1-3-5-18/h1-5,8-11,14,17,20H,6-7,12-13,15-16H2,(H,24,26)/b17-14+.
What are the key properties of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide?
N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 22751146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).