2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide

C17H19ClN2O2S — CID 55707876

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
SMILESCCOc1cc(CNC(=O)C(C)Sc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H19ClN2O2S/c1-3-22-16-10-13(8-9-19-16)11-20-17(21)12(2)23-15-6-4-14(18)5-7-15/h4-10,12H,3,11H2,1-2H3,(H,20,21)
InChIKeyTVCKDQZDFHBTNZ-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide (PubChem CID 55707876) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
PubChem CID55707876
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
SMILESCCOc1cc(CNC(=O)C(C)Sc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H19ClN2O2S/c1-3-22-16-10-13(8-9-19-16)11-20-17(21)12(2)23-15-6-4-14(18)5-7-15/h4-10,12H,3,11H2,1-2H3,(H,20,21)
InChIKeyTVCKDQZDFHBTNZ-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92676037
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
1-[(4-chlorophenyl)methyl]-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111131711
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55841094

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide (CID 55707876) is 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide is CCOc1cc(CNC(=O)C(C)Sc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The InChIKey is TVCKDQZDFHBTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-3-22-16-10-13(8-9-19-16)11-20-17(21)12(2)23-15-6-4-14(18)5-7-15/h4-10,12H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide has a molecular weight of 350.87 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55707876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).