N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide

C17H20N2O2S — CID 51234182

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)Sc2ccccn2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(22-16-5-3-4-11-18-16)17(20)19-12-10-14-6-8-15(21-2)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,19,20)
InChIKeyBIRVUNHBDIDYRW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide

N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 51234182) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID51234182
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)Sc2ccccn2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(22-16-5-3-4-11-18-16)17(20)19-12-10-14-6-8-15(21-2)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,19,20)
InChIKeyBIRVUNHBDIDYRW-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-nitrophenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97030696
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46693684
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51234522
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide
CID 51964849
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46616977
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide (CID 51234182) is N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide is COc1ccc(CCNC(=O)C(C)Sc2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is BIRVUNHBDIDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(22-16-5-3-4-11-18-16)17(20)19-12-10-14-6-8-15(21-2)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 51234182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).