N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide

C26H34N2O3S — CID 46931630

IUPACN-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide
SMILESCCc1ccc(C2CC(NS(=O)(=O)Cc3ccccc3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C26H34N2O3S/c1-2-20-12-14-22(15-13-20)24-16-25(18-28(17-24)26(29)23-10-6-7-11-23)27-32(30,31)19-21-8-4-3-5-9-21/h3-5,8-9,12-15,23-25,27H,2,6-7,10-11,16-19H2,1H3
InChIKeyFXQUNZUYTVVFIN-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide

N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide (PubChem CID 46931630) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide
PubChem CID46931630
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC NameN-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide
SMILESCCc1ccc(C2CC(NS(=O)(=O)Cc3ccccc3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C26H34N2O3S/c1-2-20-12-14-22(15-13-20)24-16-25(18-28(17-24)26(29)23-10-6-7-11-23)27-32(30,31)19-21-8-4-3-5-9-21/h3-5,8-9,12-15,23-25,27H,2,6-7,10-11,16-19H2,1H3
InChIKeyFXQUNZUYTVVFIN-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide (CID 46931630) is N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide is CCc1ccc(C2CC(NS(=O)(=O)Cc3ccccc3)CN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is FXQUNZUYTVVFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-2-20-12-14-22(15-13-20)24-16-25(18-28(17-24)26(29)23-10-6-7-11-23)27-32(30,31)19-21-8-4-3-5-9-21/h3-5,8-9,12-15,23-25,27H,2,6-7,10-11,16-19H2,1H3.
What are the key properties of N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide?
N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 454.64 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 46931630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).