N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H14F2N2O2S2 — CID 55606291

IUPACN-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)C(=O)c1cccs1
InChIInChI=1S/C15H14F2N2O2S2/c1-19(14(21)12-7-4-8-22-12)9-13(20)18-10-5-2-3-6-11(10)23-15(16)17/h2-8,15H,9H2,1H3,(H,18,20)
InChIKeyIHBHDXUTTBPWDU-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 55606291) has the molecular formula C15H14F2N2O2S2 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID55606291
Molecular FormulaC15H14F2N2O2S2
Molecular Weight356.42 g/mol
Exact Mass356.05
IUPAC NameN-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)C(=O)c1cccs1
InChIInChI=1S/C15H14F2N2O2S2/c1-19(14(21)12-7-4-8-22-12)9-13(20)18-10-5-2-3-6-11(10)23-15(16)17/h2-8,15H,9H2,1H3,(H,18,20)
InChIKeyIHBHDXUTTBPWDU-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55875489
N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55535124
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 55739401
5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 38488991
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 48524436
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18196296
N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 39965014
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 55606291) is N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1ccccc1SC(F)F)C(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IHBHDXUTTBPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S2/c1-19(14(21)12-7-4-8-22-12)9-13(20)18-10-5-2-3-6-11(10)23-15(16)17/h2-8,15H,9H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55606291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).