2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C17H24N2O3S — CID 18200668

IUPAC2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2C=CCC2)c1C
InChIInChI=1S/C17H24N2O3S/c1-12-9-15(23(21,22)19(3)4)11-16(13(12)2)18-17(20)10-14-7-5-6-8-14/h5,7,9,11,14H,6,8,10H2,1-4H3,(H,18,20)
InChIKeyFYCGXKWSRVBGMS-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.85
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 18200668) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID18200668
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2C=CCC2)c1C
InChIInChI=1S/C17H24N2O3S/c1-12-9-15(23(21,22)19(3)4)11-16(13(12)2)18-17(20)10-14-7-5-6-8-14/h5,7,9,11,14H,6,8,10H2,1-4H3,(H,18,20)
InChIKeyFYCGXKWSRVBGMS-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
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-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 18200668) is 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CC2C=CCC2)c1C.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is FYCGXKWSRVBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-9-15(23(21,22)19(3)4)11-16(13(12)2)18-17(20)10-14-7-5-6-8-14/h5,7,9,11,14H,6,8,10H2,1-4H3,(H,18,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 2.85, 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-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 18200668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).