(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

C14H11ClN2O3S — CID 7773797

IUPAC(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O3S/c15-10-5-1-2-6-11(10)21-13-9(4-3-7-17-13)14(19)20-8-12(16)18/h1-7H,8H2,(H2,16,18)
InChIKeyUXHYZEPDXQIYSY-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.53
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate (PubChem CID 7773797) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
PubChem CID7773797
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O3S/c15-10-5-1-2-6-11(10)21-13-9(4-3-7-17-13)14(19)20-8-12(16)18/h1-7H,8H2,(H2,16,18)
InChIKeyUXHYZEPDXQIYSY-UHFFFAOYSA-N
XLogP2.53
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887489
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887492
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773784
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790621
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8741084
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773885
(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate
CID 16515105
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 42978722
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773883
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 9490899
[2-(dibenzylamino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 4843523
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 27355516

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate (CID 7773797) is (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate is NC(=O)COC(=O)c1cccnc1Sc1ccccc1Cl.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
The InChIKey is UXHYZEPDXQIYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-10-5-1-2-6-11(10)21-13-9(4-3-7-17-13)14(19)20-8-12(16)18/h1-7H,8H2,(H2,16,18).
What are the key properties of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate has a molecular weight of 322.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 7773797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).