2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide

C18H20N2O3S — CID 56822670

IUPAC2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
SMILESCC(NC(=O)CSCC(N)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13(20-18(22)12-24-11-17(19)21)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,19,21)(H,20,22)
InChIKeyWJLAEMUQQQEFSS-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.87
Rot. Bonds8

About 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide

2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide (PubChem CID 56822670) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
PubChem CID56822670
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
SMILESCC(NC(=O)CSCC(N)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13(20-18(22)12-24-11-17(19)21)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,19,21)(H,20,22)
InChIKeyWJLAEMUQQQEFSS-UHFFFAOYSA-N
XLogP2.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596907
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
CID 60618425
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
CID 60618424
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 119368058
2-[2-[1-(4-methylsulfanylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427697
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-amino-4-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylbutanoic acid
CID 60920875
[2-oxo-2-(1-phenylethylamino)ethyl] N'-aminocarbamimidothioate
CID 77059908

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide?
The IUPAC name of 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide (CID 56822670) is 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide is CC(NC(=O)CSCC(N)=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide?
The InChIKey is WJLAEMUQQQEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(20-18(22)12-24-11-17(19)21)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide?
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide is sourced from PubChem (CID 56822670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).