2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C15H19Cl2NO3S — CID 78884662

IUPAC2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H19Cl2NO3S/c1-18(9-11-6-7-13(16)14(17)8-11)15(19)10-22(20,21)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyYLZWQNWYFIQFIX-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.31
Rot. Bonds5

About 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 78884662) has the molecular formula C15H19Cl2NO3S and a molecular weight of 364.29 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID78884662
Molecular FormulaC15H19Cl2NO3S
Molecular Weight364.29 g/mol
Exact Mass363.05
IUPAC Name2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C15H19Cl2NO3S/c1-18(9-11-6-7-13(16)14(17)8-11)15(19)10-22(20,21)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyYLZWQNWYFIQFIX-UHFFFAOYSA-N
XLogP3.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
CID 86995720
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
2-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976691
1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750842
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 78884662) is 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is YLZWQNWYFIQFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3S/c1-18(9-11-6-7-13(16)14(17)8-11)15(19)10-22(20,21)12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3.
What are the key properties of 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 364.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78884662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).