N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide

C18H19N3OS — CID 86931824

IUPACN-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ccncc1
InChIInChI=1S/C18H19N3OS/c1-14(2)21(12-16-5-3-15(11-19)4-6-16)18(22)13-23-17-7-9-20-10-8-17/h3-10,14H,12-13H2,1-2H3
InChIKeyAMPHFRRVMLCOOP-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.48
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide

N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide (PubChem CID 86931824) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
PubChem CID86931824
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ccncc1
InChIInChI=1S/C18H19N3OS/c1-14(2)21(12-16-5-3-15(11-19)4-6-16)18(22)13-23-17-7-9-20-10-8-17/h3-10,14H,12-13H2,1-2H3
InChIKeyAMPHFRRVMLCOOP-UHFFFAOYSA-N
XLogP3.48
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
CID 54916285
N-benzyl-N-propan-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825353
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
CID 86979650
N-[(4-cyanophenyl)methyl]-2-(4-formylphenoxy)-N-propan-2-ylacetamide
CID 78867603
3-tert-butyl-N-[(4-cyanophenyl)methyl]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 87024579
methyl 2-(4-cyanophenyl)sulfanylacetate
CID 43409182
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
N-[(4-cyanophenyl)methyl]-2-methyl-1,3-dioxo-N-propan-2-ylisoindole-5-carboxamide
CID 86927009
2-(4-cyanophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111542889
N-benzyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2696272
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide (CID 86931824) is N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide is CC(C)N(Cc1ccc(C#N)cc1)C(=O)CSc1ccncc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is AMPHFRRVMLCOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-14(2)21(12-16-5-3-15(11-19)4-6-16)18(22)13-23-17-7-9-20-10-8-17/h3-10,14H,12-13H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide?
N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 86931824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).