[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate

C20H19NO4S — CID 8663634

IUPAC[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C20H19NO4S/c1-13(18-8-5-9-26-18)21-19(22)12-25-20(23)16-10-14-6-3-4-7-15(14)11-17(16)24-2/h3-11,13H,12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyZCFZHHWWTCKDHH-ZDUSSCGKSA-N
MW369.44 g/mol
LogP3.94
Rot. Bonds6

About [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate

[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 8663634) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID8663634
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C20H19NO4S/c1-13(18-8-5-9-26-18)21-19(22)12-25-20(23)16-10-14-6-3-4-7-15(14)11-17(16)24-2/h3-11,13H,12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyZCFZHHWWTCKDHH-ZDUSSCGKSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7291398
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 16525064
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200472
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7767019
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2646135
1-O-methyl 4-O-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7296474
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[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] 2-methylsulfonylbenzoate
CID 7724634
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-bromo-2-hydroxybenzoate
CID 8022071
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-amino-5-chlorobenzoate
CID 17395295
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013665

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate (CID 8663634) is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is ZCFZHHWWTCKDHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-13(18-8-5-9-26-18)21-19(22)12-25-20(23)16-10-14-6-3-4-7-15(14)11-17(16)24-2/h3-11,13H,12H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate?
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 8663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).