methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate

C17H19NO3S — CID 97254848

IUPACmethyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccccc1CC(=O)N[C@@H](C)Cc1cccs1
InChIInChI=1S/C17H19NO3S/c1-12(10-14-7-5-9-22-14)18-16(19)11-13-6-3-4-8-15(13)17(20)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyNQWJGLLXSMTSGW-LBPRGKRZSA-N
MW317.41 g/mol
LogP2.82
Rot. Bonds6

About methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate

methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate (PubChem CID 97254848) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate
PubChem CID97254848
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Namemethyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccccc1CC(=O)N[C@@H](C)Cc1cccs1
InChIInChI=1S/C17H19NO3S/c1-12(10-14-7-5-9-22-14)18-16(19)11-13-6-3-4-8-15(13)17(20)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyNQWJGLLXSMTSGW-LBPRGKRZSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
methyl 2,3-difluoro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoate
CID 79834904
2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 137086700
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
CID 7894213

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate?
The IUPAC name of methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate (CID 97254848) is methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate?
The canonical SMILES for methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate is COC(=O)c1ccccc1CC(=O)N[C@@H](C)Cc1cccs1.
What is the InChIKey of methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate?
The InChIKey is NQWJGLLXSMTSGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(10-14-7-5-9-22-14)18-16(19)11-13-6-3-4-8-15(13)17(20)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate?
methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate has a molecular weight of 317.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate is sourced from PubChem (CID 97254848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).