methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate

C15H19NO4S — CID 18275432

IUPACmethyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate
SMILESCOC(=O)CSCC(=O)NC(Cc1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO4S/c1-11(17)13(8-12-6-4-3-5-7-12)16-14(18)9-21-10-15(19)20-2/h3-7,13H,8-10H2,1-2H3,(H,16,18)
InChIKeyFZWILEVBKVLMOV-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.21
Rot. Bonds8

About methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate

methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate (PubChem CID 18275432) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate
PubChem CID18275432
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Namemethyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate
SMILESCOC(=O)CSCC(=O)NC(Cc1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO4S/c1-11(17)13(8-12-6-4-3-5-7-12)16-14(18)9-21-10-15(19)20-2/h3-7,13H,8-10H2,1-2H3,(H,16,18)
InChIKeyFZWILEVBKVLMOV-UHFFFAOYSA-N
XLogP1.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate with MolForge

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Related Compounds

methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
(2S)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 119366835
2-(4-bromophenyl)sulfanyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8707512
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550220
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7755371
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
ethyl 2-[2-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8606289

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate (CID 18275432) is methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate is COC(=O)CSCC(=O)NC(Cc1ccccc1)C(C)=O.
What is the InChIKey of methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate?
The InChIKey is FZWILEVBKVLMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11(17)13(8-12-6-4-3-5-7-12)16-14(18)9-21-10-15(19)20-2/h3-7,13H,8-10H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate?
methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate has a molecular weight of 309.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl]sulfanylacetate is sourced from PubChem (CID 18275432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).