N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide

C19H26N2O3S — CID 47086847

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O3S/c22-19(14-16-6-4-5-7-16)20-15-17-10-12-21(13-11-17)25(23,24)18-8-2-1-3-9-18/h1-4,6,8-9,16-17H,5,7,10-15H2,(H,20,22)
InChIKeyJNYPQYAQXOBFTM-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.56
Rot. Bonds6

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 47086847) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID47086847
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O3S/c22-19(14-16-6-4-5-7-16)20-15-17-10-12-21(13-11-17)25(23,24)18-8-2-1-3-9-18/h1-4,6,8-9,16-17H,5,7,10-15H2,(H,20,22)
InChIKeyJNYPQYAQXOBFTM-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46820855
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119938215
[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 8999675
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9327417
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 95310394
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide (CID 47086847) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is JNYPQYAQXOBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-19(14-16-6-4-5-7-16)20-15-17-10-12-21(13-11-17)25(23,24)18-8-2-1-3-9-18/h1-4,6,8-9,16-17H,5,7,10-15H2,(H,20,22).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 362.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 47086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).