2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide

C16H19NO3S — CID 101352600

IUPAC2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide
SMILESC=CCS(=O)(=O)N(C(=O)CC1C=CCC1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-12-21(19,20)17(15-10-4-3-5-11-15)16(18)13-14-8-6-7-9-14/h2-6,8,10-11,14H,1,7,9,12-13H2
InChIKeyZUUXIMPIGCZDAV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.89
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide

2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide (PubChem CID 101352600) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide
PubChem CID101352600
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide
SMILESC=CCS(=O)(=O)N(C(=O)CC1C=CCC1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-12-21(19,20)17(15-10-4-3-5-11-15)16(18)13-14-8-6-7-9-14/h2-6,8,10-11,14H,1,7,9,12-13H2
InChIKeyZUUXIMPIGCZDAV-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide (CID 101352600) is 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide is C=CCS(=O)(=O)N(C(=O)CC1C=CCC1)c1ccccc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide?
The InChIKey is ZUUXIMPIGCZDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-12-21(19,20)17(15-10-4-3-5-11-15)16(18)13-14-8-6-7-9-14/h2-6,8,10-11,14H,1,7,9,12-13H2.
What are the key properties of 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide?
2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-phenyl-N-prop-2-enylsulfonylacetamide is sourced from PubChem (CID 101352600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).