N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide

C18H22N2OS — CID 46810322

IUPACN-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCCCC(NC(=O)C(C)Sc1ccccn1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-3-9-16(15-10-5-4-6-11-15)20-18(21)14(2)22-17-12-7-8-13-19-17/h4-8,10-14,16H,3,9H2,1-2H3,(H,20,21)
InChIKeyLZUKIGLBGAKIJG-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.22
Rot. Bonds7

About N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide

N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 46810322) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID46810322
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCCCC(NC(=O)C(C)Sc1ccccn1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-3-9-16(15-10-5-4-6-11-15)20-18(21)14(2)22-17-12-7-8-13-19-17/h4-8,10-14,16H,3,9H2,1-2H3,(H,20,21)
InChIKeyLZUKIGLBGAKIJG-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-3-(2-pyridin-2-ylsulfanylpropanoylamino)propanoic acid
CID 53215548
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
(2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 41361926
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 40751028
(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 39816503
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51183645
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide (CID 46810322) is N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide is CCCC(NC(=O)C(C)Sc1ccccn1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is LZUKIGLBGAKIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-9-16(15-10-5-4-6-11-15)20-18(21)14(2)22-17-12-7-8-13-19-17/h4-8,10-14,16H,3,9H2,1-2H3,(H,20,21).
What are the key properties of N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 46810322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).