1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide

C15H19NO4S — CID 24816512

IUPAC1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide
SMILESCOCCNC(=O)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C15H19NO4S/c1-20-12-11-16-14(17)15(9-5-6-10-15)21(18,19)13-7-3-2-4-8-13/h2-8H,9-12H2,1H3,(H,16,17)
InChIKeyWJRKFLFHUGMTRJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.31
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide

1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 24816512) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide
PubChem CID24816512
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide
SMILESCOCCNC(=O)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C15H19NO4S/c1-20-12-11-16-14(17)15(9-5-6-10-15)21(18,19)13-7-3-2-4-8-13/h2-8H,9-12H2,1H3,(H,16,17)
InChIKeyWJRKFLFHUGMTRJ-UHFFFAOYSA-N
XLogP1.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-propylcyclopent-3-ene-1-carboxamide
CID 24816510
1-(benzenesulfonyl)-N-(cyclopropylmethyl)cyclopent-3-ene-1-carboxamide
CID 24816514
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-morpholin-4-ylmethanone
CID 24819500
1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide
CID 24819532
1-(benzenesulfonyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide
CID 24816511
1-(benzenesulfonyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 2295654
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3-(phenylsulfonyl)propanamide
CID 71787324
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}3-(phenylthio)propionamide
CID 97414638
2-(2-fluorophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 93895142
4-(4-Fluorophenyl)sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 161302391
Ethyl 2-[4-(benzenesulfinyl)butanoylamino]acetate
CID 13977389
4-(benzenesulfinyl)-N-(3-methylbut-3-enyl)butanamide
CID 85783009

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide (CID 24816512) is 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide is COCCNC(=O)C1(S(=O)(=O)c2ccccc2)CC=CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is WJRKFLFHUGMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-20-12-11-16-14(17)15(9-5-6-10-15)21(18,19)13-7-3-2-4-8-13/h2-8H,9-12H2,1H3,(H,16,17).
What are the key properties of 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide?
1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-methoxyethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 24816512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).