N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide

C15H17N3OS — CID 163508835

IUPACN-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SNCc2ccncc2)cc1C
InChIInChI=1S/C15H17N3OS/c1-11-9-14(3-4-15(11)18-12(2)19)20-17-10-13-5-7-16-8-6-13/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyDAXUTYBRFIKOFE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.15
Rot. Bonds5

About N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide

N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide (PubChem CID 163508835) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide
PubChem CID163508835
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SNCc2ccncc2)cc1C
InChIInChI=1S/C15H17N3OS/c1-11-9-14(3-4-15(11)18-12(2)19)20-17-10-13-5-7-16-8-6-13/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyDAXUTYBRFIKOFE-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
CID 170047939
N-(3-bromophenyl)sulfanyl-1-pyridin-4-ylmethanamine
CID 144614917
N-(2-methyl-5-pyridin-4-ylphenyl)acetamide
CID 71934327
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
methyl 3-[[[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfanylamino]methyl]benzoate
CID 135231270
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide?
The IUPAC name of N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide (CID 163508835) is N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SNCc2ccncc2)cc1C.
What is the InChIKey of N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide?
The InChIKey is DAXUTYBRFIKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-9-14(3-4-15(11)18-12(2)19)20-17-10-13-5-7-16-8-6-13/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide?
N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide has a molecular weight of 287.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyridin-4-ylmethylamino)sulfanylphenyl]acetamide is sourced from PubChem (CID 163508835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).