N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide

C20H19N3OS — CID 2104273

IUPACN-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccccn1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H19N3OS/c24-20(15-21-14-16-8-6-7-13-22-16)23-18-11-4-5-12-19(18)25-17-9-2-1-3-10-17/h1-13,21H,14-15H2,(H,23,24)
InChIKeyGIKHPHDWWIMPPV-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.96
Rot. Bonds7

About N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide

N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 2104273) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID2104273
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccccn1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H19N3OS/c24-20(15-21-14-16-8-6-7-13-22-16)23-18-11-4-5-12-19(18)25-17-9-2-1-3-10-17/h1-13,21H,14-15H2,(H,23,24)
InChIKeyGIKHPHDWWIMPPV-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 112770648
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide (CID 2104273) is N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide is O=C(CNCc1ccccn1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is GIKHPHDWWIMPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(15-21-14-16-8-6-7-13-22-16)23-18-11-4-5-12-19(18)25-17-9-2-1-3-10-17/h1-13,21H,14-15H2,(H,23,24).
What are the key properties of N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-2-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 2104273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).