methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate

C16H17NO4S — CID 154720937

IUPACmethyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1cccs1)NC(=O)c1ccccc1OC
InChIInChI=1S/C16H17NO4S/c1-20-14-8-4-3-7-12(14)15(18)17-13(16(19)21-2)10-11-6-5-9-22-11/h3-9,13H,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyPZFNZQYOOHPVRH-CYBMUJFWSA-N
MW319.38 g/mol
LogP2.27
Rot. Bonds6

About methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate

methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate (PubChem CID 154720937) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
PubChem CID154720937
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1cccs1)NC(=O)c1ccccc1OC
InChIInChI=1S/C16H17NO4S/c1-20-14-8-4-3-7-12(14)15(18)17-13(16(19)21-2)10-11-6-5-9-22-11/h3-9,13H,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyPZFNZQYOOHPVRH-CYBMUJFWSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate (CID 154720937) is methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate is COC(=O)[C@@H](Cc1cccs1)NC(=O)c1ccccc1OC.
What is the InChIKey of methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
The InChIKey is PZFNZQYOOHPVRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-14-8-4-3-7-12(14)15(18)17-13(16(19)21-2)10-11-6-5-9-22-11/h3-9,13H,10H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate?
methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate has a molecular weight of 319.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-methoxybenzoyl)amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 154720937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).