N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

C24H30N2O3S2 — CID 46457437

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30N2O3S2/c27-24(25-23(20-9-4-5-10-20)22-11-6-17-30-22)21-12-15-26(16-13-21)31(28,29)18-14-19-7-2-1-3-8-19/h1-3,6-8,11,14,17-18,20-21,23H,4-5,9-10,12-13,15-16H2,(H,25,27)/b18-14+
InChIKeyWAXGLXDJLKGJSS-NBVRZTHBSA-N
MW458.65 g/mol
LogP4.81
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 46457437) has the molecular formula C24H30N2O3S2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
PubChem CID46457437
Molecular FormulaC24H30N2O3S2
Molecular Weight458.65 g/mol
Exact Mass458.17
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30N2O3S2/c27-24(25-23(20-9-4-5-10-20)22-11-6-17-30-22)21-12-15-26(16-13-21)31(28,29)18-14-19-7-2-1-3-8-19/h1-3,6-8,11,14,17-18,20-21,23H,4-5,9-10,12-13,15-16H2,(H,25,27)/b18-14+
InChIKeyWAXGLXDJLKGJSS-NBVRZTHBSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 51148743
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55723617
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39613287
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (CID 46457437) is N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is O=C(NC(c1cccs1)C1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WAXGLXDJLKGJSS-NBVRZTHBSA-N. The full InChI is InChI=1S/C24H30N2O3S2/c27-24(25-23(20-9-4-5-10-20)22-11-6-17-30-22)21-12-15-26(16-13-21)31(28,29)18-14-19-7-2-1-3-8-19/h1-3,6-8,11,14,17-18,20-21,23H,4-5,9-10,12-13,15-16H2,(H,25,27)/b18-14+.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46457437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).