(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide

C18H21N3O3S — CID 51964849

IUPAC(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13(25-15-8-6-14(24-2)7-9-15)18(23)20-12-10-17(22)21-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)(H,19,21,22)/t13-/m1/s1
InChIKeyWRIPVKDJXYWWHY-CYBMUJFWSA-N
MW359.45 g/mol
LogP2.72
Rot. Bonds8

About (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide

(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide (PubChem CID 51964849) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide
PubChem CID51964849
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13(25-15-8-6-14(24-2)7-9-15)18(23)20-12-10-17(22)21-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)(H,19,21,22)/t13-/m1/s1
InChIKeyWRIPVKDJXYWWHY-CYBMUJFWSA-N
XLogP2.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide?
The IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide (CID 51964849) is (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide is COc1ccc(S[C@H](C)C(=O)NCCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide?
The InChIKey is WRIPVKDJXYWWHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13(25-15-8-6-14(24-2)7-9-15)18(23)20-12-10-17(22)21-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)(H,19,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide?
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide has a molecular weight of 359.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide is sourced from PubChem (CID 51964849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).