2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C16H23F2N3O2S — CID 8756660

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H23F2N3O2S/c1-16(2,3)20-14(23)10-21(4)9-13(22)19-11-5-7-12(8-6-11)24-15(17)18/h5-8,15H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGIDPYNGWKNXJDM-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.79
Rot. Bonds7

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 8756660) has the molecular formula C16H23F2N3O2S and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID8756660
Molecular FormulaC16H23F2N3O2S
Molecular Weight359.44 g/mol
Exact Mass359.15
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H23F2N3O2S/c1-16(2,3)20-14(23)10-21(4)9-13(22)19-11-5-7-12(8-6-11)24-15(17)18/h5-8,15H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGIDPYNGWKNXJDM-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334131
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433671
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18094879
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55533983
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]acetamide
CID 136585074
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]acetamide
CID 18082951
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 8756660) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(SC(F)F)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is GIDPYNGWKNXJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2S/c1-16(2,3)20-14(23)10-21(4)9-13(22)19-11-5-7-12(8-6-11)24-15(17)18/h5-8,15H,9-10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 359.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 8756660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).