2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C15H19F2NO3S — CID 84584479

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H19F2NO3S/c1-4-18(10-11(2)3)14(19)9-12-5-7-13(8-6-12)22(20,21)15(16)17/h5-8,15H,2,4,9-10H2,1,3H3
InChIKeyPANNFGVEZLPYAF-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.65
Rot. Bonds7

About 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 84584479) has the molecular formula C15H19F2NO3S and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID84584479
Molecular FormulaC15H19F2NO3S
Molecular Weight331.38 g/mol
Exact Mass331.11
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H19F2NO3S/c1-4-18(10-11(2)3)14(19)9-12-5-7-13(8-6-12)22(20,21)15(16)17/h5-8,15H,2,4,9-10H2,1,3H3
InChIKeyPANNFGVEZLPYAF-UHFFFAOYSA-N
XLogP2.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
CID 134013284
N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide
CID 71874448
3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86929550
2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
CID 63199057
N-(2-amino-2-ethylbutyl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 119641229
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790698
2-(2-aminophenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61118628
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
CID 119349957
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 55316083
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
4-(difluoromethylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8751999
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 84584479) is 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is PANNFGVEZLPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3S/c1-4-18(10-11(2)3)14(19)9-12-5-7-13(8-6-12)22(20,21)15(16)17/h5-8,15H,2,4,9-10H2,1,3H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 84584479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).