N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide

C16H24F2N2O2S — CID 51107023

IUPACN-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(=O)NC(C)(C)C)ccc1SC(F)F
InChIInChI=1S/C16H24F2N2O2S/c1-16(2,3)19-14(21)10-20(4)9-11-6-7-13(23-15(17)18)12(8-11)22-5/h6-8,15H,9-10H2,1-5H3,(H,19,21)
InChIKeyKNQRJLQFWRVOHV-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.36
Rot. Bonds7

About N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide

N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide (PubChem CID 51107023) has the molecular formula C16H24F2N2O2S and a molecular weight of 346.44 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide
PubChem CID51107023
Molecular FormulaC16H24F2N2O2S
Molecular Weight346.44 g/mol
Exact Mass346.15
IUPAC NameN-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(=O)NC(C)(C)C)ccc1SC(F)F
InChIInChI=1S/C16H24F2N2O2S/c1-16(2,3)19-14(21)10-20(4)9-11-6-7-13(23-15(17)18)12(8-11)22-5/h6-8,15H,9-10H2,1-5H3,(H,19,21)
InChIKeyKNQRJLQFWRVOHV-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
CID 8766908
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide
CID 86908532
N-tert-butyl-3-[(3,4-dimethoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113140664
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 106788145
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9058250

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide (CID 51107023) is N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide is COc1cc(CN(C)CC(=O)NC(C)(C)C)ccc1SC(F)F.
What is the InChIKey of N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide?
The InChIKey is KNQRJLQFWRVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2S/c1-16(2,3)19-14(21)10-20(4)9-11-6-7-13(23-15(17)18)12(8-11)22-5/h6-8,15H,9-10H2,1-5H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide?
N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide has a molecular weight of 346.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(difluoromethylsulfanyl)-3-methoxyphenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 51107023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).