N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide

C13H18N2O2S — CID 170860689

IUPACN-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)Nc1ccc(C(=O)CN)cc1
InChIInChI=1S/C13H18N2O2S/c1-9(2)18-8-13(17)15-11-5-3-10(4-6-11)12(16)7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyUQNRTGWFSVDONZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.91
Rot. Bonds6

About N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide

N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 170860689) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
PubChem CID170860689
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)Nc1ccc(C(=O)CN)cc1
InChIInChI=1S/C13H18N2O2S/c1-9(2)18-8-13(17)15-11-5-3-10(4-6-11)12(16)7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyUQNRTGWFSVDONZ-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminoacetyl)phenyl]butanamide
CID 170860322
N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860591
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 66228849
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 66216878
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
CID 7509866
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669
N,N-dimethyl-4-[[2-[(2R)-3-methylbutan-2-yl]sulfanylacetyl]amino]benzamide
CID 96538513
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 66229760
1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 60885588
2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66230503

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide (CID 170860689) is N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)Nc1ccc(C(=O)CN)cc1.
What is the InChIKey of N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is UQNRTGWFSVDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)18-8-13(17)15-11-5-3-10(4-6-11)12(16)7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide?
N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 170860689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).