N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide

C23H27FN2O3S — CID 22750983

IUPACN-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O3S/c24-22-11-9-21(10-12-22)15-18-30(28,29)25-23(27)26-16-13-20(14-17-26)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-12,15,18,20H,4,7-8,13-14,16-17H2,(H,25,27)/b18-15+
InChIKeyCBCYBYOTTFATBP-OBGWFSINSA-N
MW430.55 g/mol
LogP4.57
Rot. Bonds7

About N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide

N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 22750983) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID22750983
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O3S/c24-22-11-9-21(10-12-22)15-18-30(28,29)25-23(27)26-16-13-20(14-17-26)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-12,15,18,20H,4,7-8,13-14,16-17H2,(H,25,27)/b18-15+
InChIKeyCBCYBYOTTFATBP-OBGWFSINSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.57
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-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide (CID 22750983) is N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide is O=C(NS(=O)(=O)/C=C/c1ccc(F)cc1)N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is CBCYBYOTTFATBP-OBGWFSINSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c24-22-11-9-21(10-12-22)15-18-30(28,29)25-23(27)26-16-13-20(14-17-26)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-12,15,18,20H,4,7-8,13-14,16-17H2,(H,25,27)/b18-15+.
What are the key properties of N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.57, 7 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-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 22750983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).