methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate

C15H14N2O3S — CID 667093

IUPACmethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C15H14N2O3S/c1-20-15(19)11-6-2-3-7-12(11)17-13(18)10-21-14-8-4-5-9-16-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRQXRZTHBHUMLKF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate

methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate (PubChem CID 667093) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
PubChem CID667093
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Namemethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C15H14N2O3S/c1-20-15(19)11-6-2-3-7-12(11)17-13(18)10-21-14-8-4-5-9-16-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRQXRZTHBHUMLKF-UHFFFAOYSA-N
XLogP2.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-[(4-oxo-4H-pyrido[3,2-e][1,3]thiazin-2-yl)amino]benzoate
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[5-(4-Fluorophenylcarbamoyl)Pyridin-2-Ylsulfanyl]Acetic Acid Methyl Ester
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate (CID 667093) is methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)CSc1ccccn1.
What is the InChIKey of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate?
The InChIKey is RQXRZTHBHUMLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-15(19)11-6-2-3-7-12(11)17-13(18)10-21-14-8-4-5-9-16-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate?
methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate has a molecular weight of 302.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate is sourced from PubChem (CID 667093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).