[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

C18H19ClN2O3S — CID 8741084

IUPAC[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
SMILESCCCNC(=O)[C@@H](C)OC(=O)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-3-10-20-16(22)12(2)24-18(23)13-7-6-11-21-17(13)25-15-9-5-4-8-14(15)19/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyFYSWTRUVMOQQDZ-GFCCVEGCSA-N
MW378.88 g/mol
LogP3.96
Rot. Bonds7

About [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate (PubChem CID 8741084) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
PubChem CID8741084
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
SMILESCCCNC(=O)[C@@H](C)OC(=O)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-3-10-20-16(22)12(2)24-18(23)13-7-6-11-21-17(13)25-15-9-5-4-8-14(15)19/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyFYSWTRUVMOQQDZ-GFCCVEGCSA-N
XLogP3.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(propylamino)propan-2-yl] 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-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773784
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 8741098
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773797
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 9412610
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306869
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887489
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765367
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887492
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate
CID 41187115
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 30711153
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 8741093
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-2-chlorobenzoate
CID 61239178

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate (CID 8741084) is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate is CCCNC(=O)[C@@H](C)OC(=O)c1cccnc1Sc1ccccc1Cl.
What is the InChIKey of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
The InChIKey is FYSWTRUVMOQQDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-3-10-20-16(22)12(2)24-18(23)13-7-6-11-21-17(13)25-15-9-5-4-8-14(15)19/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate?
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate has a molecular weight of 378.88 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 8741084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).