4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide

C12H12F5NOS — CID 78858692

IUPAC4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C12H12F5NOS/c1-2-18(7-12(15,16)17)10(19)8-3-5-9(6-4-8)20-11(13)14/h3-6,11H,2,7H2,1H3
InChIKeyMTPQKJBSOTXUSM-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.03
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide

4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78858692) has the molecular formula C12H12F5NOS and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78858692
Molecular FormulaC12H12F5NOS
Molecular Weight313.29 g/mol
Exact Mass313.06
IUPAC Name4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C12H12F5NOS/c1-2-18(7-12(15,16)17)10(19)8-3-5-9(6-4-8)20-11(13)14/h3-6,11H,2,7H2,1H3
InChIKeyMTPQKJBSOTXUSM-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 47019958
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 86890747
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 112759116
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide (CID 78858692) is 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MTPQKJBSOTXUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NOS/c1-2-18(7-12(15,16)17)10(19)8-3-5-9(6-4-8)20-11(13)14/h3-6,11H,2,7H2,1H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide?
4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 313.29 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78858692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).