N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide

C17H19N3O2S — CID 25162701

IUPACN-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C17H19N3O2S/c1-23-12-9-15(17(22)19-14-7-10-18-11-8-14)20-16(21)13-5-3-2-4-6-13/h2-8,10-11,15H,9,12H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyOYVOQCBTWATUBI-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.57
Rot. Bonds7

About N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide

N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide (PubChem CID 25162701) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
PubChem CID25162701
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C17H19N3O2S/c1-23-12-9-15(17(22)19-14-7-10-18-11-8-14)20-16(21)13-5-3-2-4-6-13/h2-8,10-11,15H,9,12H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyOYVOQCBTWATUBI-UHFFFAOYSA-N
XLogP2.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide?
The IUPAC name of N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide (CID 25162701) is N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1)C(=O)Nc1ccncc1.
What is the InChIKey of N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide?
The InChIKey is OYVOQCBTWATUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-23-12-9-15(17(22)19-14-7-10-18-11-8-14)20-16(21)13-5-3-2-4-6-13/h2-8,10-11,15H,9,12H2,1H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide?
N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide has a molecular weight of 329.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 25162701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).