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

C18H19NO4S — CID 19318458

IUPACethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
SMILESCCOC(=O)CSc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C18H19NO4S/c1-2-22-18(21)13-24-16-10-6-7-14(11-16)19-17(20)12-23-15-8-4-3-5-9-15/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeySZWMXSKGHMQGPQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds8

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

ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate (PubChem CID 19318458) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
PubChem CID19318458
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Nameethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
SMILESCCOC(=O)CSc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C18H19NO4S/c1-2-22-18(21)13-24-16-10-6-7-14(11-16)19-17(20)12-23-15-8-4-3-5-9-15/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeySZWMXSKGHMQGPQ-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
CID 19318459
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616661
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905619
ethyl 4-[3-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate
CID 19318471
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905643
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 7995999
N-[3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate?
The IUPAC name of ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate (CID 19318458) is ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate is CCOC(=O)CSc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate?
The InChIKey is SZWMXSKGHMQGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-22-18(21)13-24-16-10-6-7-14(11-16)19-17(20)12-23-15-8-4-3-5-9-15/h3-11H,2,12-13H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate?
ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate has a molecular weight of 345.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate is sourced from PubChem (CID 19318458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).