2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C17H22N2O3S — CID 46820855

IUPAC2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c20-17(13-14-5-1-2-6-14)18-15-7-9-16(10-8-15)23(21,22)19-11-3-4-12-19/h1,5,7-10,14H,2-4,6,11-13H2,(H,18,20)
InChIKeyIBYJABVXNXFNTQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.77
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 46820855) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID46820855
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c20-17(13-14-5-1-2-6-14)18-15-7-9-16(10-8-15)23(21,22)19-11-3-4-12-19/h1,5,7-10,14H,2-4,6,11-13H2,(H,18,20)
InChIKeyIBYJABVXNXFNTQ-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.77
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-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 17491419
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9327417
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
CID 31011027
2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4821142
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847
cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 6971323
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7819713
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42932786
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 46820855) is 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CC1C=CCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IBYJABVXNXFNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-17(13-14-5-1-2-6-14)18-15-7-9-16(10-8-15)23(21,22)19-11-3-4-12-19/h1,5,7-10,14H,2-4,6,11-13H2,(H,18,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 46820855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).