ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate

C17H19NO3S2 — CID 9286941

IUPACethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C17H19NO3S2/c1-2-21-16(20)12-22-11-15(19)18-17(14-9-6-10-23-14)13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyUPCAVUFZWFXRAU-KRWDZBQOSA-N
MW349.48 g/mol
LogP3.25
Rot. Bonds8

About ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate

ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate (PubChem CID 9286941) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
PubChem CID9286941
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Nameethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C17H19NO3S2/c1-2-21-16(20)12-22-11-15(19)18-17(14-9-6-10-23-14)13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyUPCAVUFZWFXRAU-KRWDZBQOSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylpropanoate
CID 9344511
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
ethyl 2-[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]sulfanylacetate
CID 8594821
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 46606399
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate (CID 9286941) is ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate is CCOC(=O)CSCC(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate?
The InChIKey is UPCAVUFZWFXRAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-2-21-16(20)12-22-11-15(19)18-17(14-9-6-10-23-14)13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3,(H,18,19)/t17-/m0/s1.
What are the key properties of ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate?
ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate has a molecular weight of 349.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate is sourced from PubChem (CID 9286941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).