[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate

C16H17NO5S2 — CID 7724634

IUPAC[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccccc1S(C)(=O)=O)c1cccs1
InChIInChI=1S/C16H17NO5S2/c1-11(13-7-5-9-23-13)17-15(18)10-22-16(19)12-6-3-4-8-14(12)24(2,20)21/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyORROUIHPAVEOMZ-LLVKDONJSA-N
MW367.45 g/mol
LogP2.19
Rot. Bonds6

About [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate (PubChem CID 7724634) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate
PubChem CID7724634
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccccc1S(C)(=O)=O)c1cccs1
InChIInChI=1S/C16H17NO5S2/c1-11(13-7-5-9-23-13)17-15(18)10-22-16(19)12-6-3-4-8-14(12)24(2,20)21/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyORROUIHPAVEOMZ-LLVKDONJSA-N
XLogP2.19
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate
CID 7247664
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[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725530
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
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[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-benzamidobenzoate
CID 7835723
1-O-methyl 4-O-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7296474
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663634
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 16529552
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-fluorobenzoate
CID 8624862
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-hydroxybenzoate
CID 7776980
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439920
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate (CID 7724634) is [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate is C[C@@H](NC(=O)COC(=O)c1ccccc1S(C)(=O)=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate?
The InChIKey is ORROUIHPAVEOMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO5S2/c1-11(13-7-5-9-23-13)17-15(18)10-22-16(19)12-6-3-4-8-14(12)24(2,20)21/h3-9,11H,10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate?
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate has a molecular weight of 367.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methylsulfonylbenzoate is sourced from PubChem (CID 7724634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).