N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide

C16H18N2OS — CID 23801442

IUPACN-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H18N2OS/c1-3-14(20-13-7-5-4-6-8-13)16(19)18-15-10-9-12(2)11-17-15/h4-11,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyKSIAZIFIQYXQGW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.90
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide

N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide (PubChem CID 23801442) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
PubChem CID23801442
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H18N2OS/c1-3-14(20-13-7-5-4-6-8-13)16(19)18-15-10-9-12(2)11-17-15/h4-11,14H,3H2,1-2H3,(H,17,18,19)
InChIKeyKSIAZIFIQYXQGW-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
CID 23801438
N-isoquinolin-8-yl-2-phenylsulfanylbutanamide
CID 166234096
2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
CID 118638719
2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 46651551
(2S)-N-(5-methyl-2-pyridinyl)-2-phenylmethoxypropanamide
CID 51941390
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylbutanamide
CID 19298709
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
4-[2-(4-methylphenyl)sulfanylbutanoylamino]benzoic acid
CID 23970288
N-[3,5-bis(hydroxymethyl)phenyl]-2-phenylsulfanylbutanamide
CID 126839834

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide (CID 23801442) is N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide is CCC(Sc1ccccc1)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide?
The InChIKey is KSIAZIFIQYXQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-14(20-13-7-5-4-6-8-13)16(19)18-15-10-9-12(2)11-17-15/h4-11,14H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide?
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide has a molecular weight of 286.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide is sourced from PubChem (CID 23801442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).