ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate

C18H19NO3S — CID 19318459

IUPACethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
SMILESCCOC(=O)CSc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H19NO3S/c1-2-22-18(21)13-23-16-10-6-9-15(12-16)19-17(20)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,20)
InChIKeyDREYCDBSJHFBJB-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.52
Rot. Bonds7

About ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate

ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate (PubChem CID 19318459) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
PubChem CID19318459
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Nameethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
SMILESCCOC(=O)CSc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H19NO3S/c1-2-22-18(21)13-23-16-10-6-9-15(12-16)19-17(20)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,20)
InChIKeyDREYCDBSJHFBJB-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
CID 19318458
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
ethyl 4-[3-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate
CID 19318471
methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
CID 19318756
ethyl 3-oxo-4-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoate
CID 19318472
ethyl 2-[3-(propylaminomethyl)phenyl]sulfanylacetate
CID 66349620
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 2-(3-chlorophenyl)sulfanylacetate
CID 62648053
ethyl 2-[3-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]phenyl]sulfanylacetate
CID 19300633
ethyl 2-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate
CID 18909421
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 7995999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate?
The IUPAC name of ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate (CID 19318459) is ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate is CCOC(=O)CSc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate?
The InChIKey is DREYCDBSJHFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-2-22-18(21)13-23-16-10-6-9-15(12-16)19-17(20)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate?
ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate has a molecular weight of 329.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate is sourced from PubChem (CID 19318459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).