N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

C18H23N3OS — CID 49030662

IUPACN-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCCCN(CCc1ccccn1)C(=O)CSCc1ccncc1
InChIInChI=1S/C18H23N3OS/c1-2-12-21(13-8-17-5-3-4-9-20-17)18(22)15-23-14-16-6-10-19-11-7-16/h3-7,9-11H,2,8,12-15H2,1H3
InChIKeyHIAVQKHRNOOVGD-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.19
Rot. Bonds9

About N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 49030662) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID49030662
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCCCN(CCc1ccccn1)C(=O)CSCc1ccncc1
InChIInChI=1S/C18H23N3OS/c1-2-12-21(13-8-17-5-3-4-9-20-17)18(22)15-23-14-16-6-10-19-11-7-16/h3-7,9-11H,2,8,12-15H2,1H3
InChIKeyHIAVQKHRNOOVGD-UHFFFAOYSA-N
XLogP3.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(pyridin-4-ylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51099484
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-propyl-N-(2-pyridin-2-ylethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 49030894
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 42724828
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 49030662) is N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is CCCN(CCc1ccccn1)C(=O)CSCc1ccncc1.
What is the InChIKey of N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is HIAVQKHRNOOVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-12-21(13-8-17-5-3-4-9-20-17)18(22)15-23-14-16-6-10-19-11-7-16/h3-7,9-11H,2,8,12-15H2,1H3.
What are the key properties of N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 49030662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).