N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

C16H18F2N2OS2 — CID 9433671

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H18F2N2OS2/c1-11-7-8-22-14(11)9-20(2)10-15(21)19-12-3-5-13(6-4-12)23-16(17)18/h3-8,16H,9-10H2,1-2H3,(H,19,21)
InChIKeyJSMHASJQSOXDFZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.44
Rot. Bonds7

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 9433671) has the molecular formula C16H18F2N2OS2 and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID9433671
Molecular FormulaC16H18F2N2OS2
Molecular Weight356.46 g/mol
Exact Mass356.08
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H18F2N2OS2/c1-11-7-8-22-14(11)9-20(2)10-15(21)19-12-3-5-13(6-4-12)23-16(17)18/h3-8,16H,9-10H2,1-2H3,(H,19,21)
InChIKeyJSMHASJQSOXDFZ-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
N-(3-chloro-4-methylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433715
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837711
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433749
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
N-(5-chloro-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9434187
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18094879
N-(2,5-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433733
N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetamide
CID 18082951

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 9433671) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is Cc1ccsc1CN(C)CC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is JSMHASJQSOXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS2/c1-11-7-8-22-14(11)9-20(2)10-15(21)19-12-3-5-13(6-4-12)23-16(17)18/h3-8,16H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 356.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9433671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).