2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

C20H18N2OS — CID 4230015

IUPAC2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2OS/c23-20(22-15-16-11-13-21-14-12-16)19(17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H,15H2,(H,22,23)
InChIKeyZSUZRAOVNRYTNE-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.23
Rot. Bonds6

About 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 4230015) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID4230015
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2OS/c23-20(22-15-16-11-13-21-14-12-16)19(17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H,15H2,(H,22,23)
InChIKeyZSUZRAOVNRYTNE-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
CID 26213367
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 3596364
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (CID 4230015) is 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is O=C(NCc1ccncc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZSUZRAOVNRYTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c23-20(22-15-16-11-13-21-14-12-16)19(17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H,15H2,(H,22,23).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 4230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).