N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide

C14H20N2O2S — CID 119626774

IUPACN-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide
SMILESCC(C)(N)CNC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-14(2,15)10-16-13(18)9-19-8-12(17)11-6-4-3-5-7-11/h3-7H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyCVFXKLGRZRACQV-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.46
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide

N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide (PubChem CID 119626774) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide
PubChem CID119626774
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide
SMILESCC(C)(N)CNC(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-14(2,15)10-16-13(18)9-19-8-12(17)11-6-4-3-5-7-11/h3-7H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyCVFXKLGRZRACQV-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119033350
N-(3-aminobutyl)-2-phenacylsulfanylacetamide;hydrochloride
CID 119495825
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
N-(2-amino-2-ethylbutyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119641139
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
2-ethylsulfanyl-1-phenylethanone
CID 2776060
(2R)-3-methyl-2-[(2-phenacylsulfanylacetyl)amino]butanoic acid
CID 119369606
(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278000
N-cyclopentyl-2-phenacylsulfanylacetamide
CID 126798493
(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide (CID 119626774) is N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide is CC(C)(N)CNC(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide?
The InChIKey is CVFXKLGRZRACQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(2,15)10-16-13(18)9-19-8-12(17)11-6-4-3-5-7-11/h3-7H,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide?
N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-phenacylsulfanylacetamide is sourced from PubChem (CID 119626774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).