2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C17H19ClN2O2S — CID 46693684

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Sc2ncccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-12(23-17-15(18)4-3-10-20-17)16(21)19-11-9-13-5-7-14(22-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3,(H,19,21)
InChIKeyMQPHQFBTONVBRP-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.58
Rot. Bonds7

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 46693684) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID46693684
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Sc2ncccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-12(23-17-15(18)4-3-10-20-17)16(21)19-11-9-13-5-7-14(22-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3,(H,19,21)
InChIKeyMQPHQFBTONVBRP-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8977843
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51234522
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9382608

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 46693684) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)Sc2ncccc2Cl)cc1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is MQPHQFBTONVBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-12(23-17-15(18)4-3-10-20-17)16(21)19-11-9-13-5-7-14(22-2)8-6-13/h3-8,10,12H,9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 350.87 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46693684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).