2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid

C14H17NO4S — CID 119206349

IUPAC2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4S/c1-2-15(8-14(18)19)13(17)10-20-9-12(16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,18,19)
InChIKeySDWUZHUEZCTWEV-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.54
Rot. Bonds8

About 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid

2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid (PubChem CID 119206349) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
PubChem CID119206349
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CSCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4S/c1-2-15(8-14(18)19)13(17)10-20-9-12(16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,18,19)
InChIKeySDWUZHUEZCTWEV-UHFFFAOYSA-N
XLogP1.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119189540
2-ethylsulfanyl-1-phenylethanone
CID 2776060
N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
CID 119582126
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 54901266
ethyl(phenacyl)carbamic acid
CID 70573901
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
CID 59233394
N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-2-phenacylsulfanylacetamide
CID 95324097
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 119206308
(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
1-[methyl-(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539343

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid (CID 119206349) is 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid is CCN(CC(=O)O)C(=O)CSCC(=O)c1ccccc1.
What is the InChIKey of 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
The InChIKey is SDWUZHUEZCTWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-2-15(8-14(18)19)13(17)10-20-9-12(16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid?
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid has a molecular weight of 295.36 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 119206349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).