N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

C14H18F3NO3S — CID 52602268

IUPACN,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3S/c1-3-18(4-2)13(19)10-22(20,21)9-11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3
InChIKeyGKILCZGYPQOJEC-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.49
Rot. Bonds6

About N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (PubChem CID 52602268) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
PubChem CID52602268
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC NameN,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3S/c1-3-18(4-2)13(19)10-22(20,21)9-11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3
InChIKeyGKILCZGYPQOJEC-UHFFFAOYSA-N
XLogP2.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylsulfonyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1094083
2-(benzylsulfonyl)-N,N-diisobutylacetamide
CID 2218678
Trimethyl-[2-[(4-methylphenyl)methylsulfonyl]ethyl]azanium iodide
CID 73053482
N,N-Dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamine
CID 73053501
2-[(4-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine
CID 73053532
1-[3-(Benzylsulfonyl)propanoyl]-3-methylpiperidine
CID 2975730
N-(3-Methylbutyl)-3-[(4-methylphenyl)methanesulfonyl]propanamide
CID 4134924
2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine
CID 73053528
N-butyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 4148316
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
CID 5177297
N-(1,1-dioxidotetrahydro-3-thienyl)-N-methyl-3-phenylacrylamide
CID 5735467
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 16261908

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (CID 52602268) is N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is CCN(CC)C(=O)CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is GKILCZGYPQOJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-3-18(4-2)13(19)10-22(20,21)9-11-5-7-12(8-6-11)14(15,16)17/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide has a molecular weight of 337.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 52602268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).