4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide

C20H16F2N2OS — CID 134025916

IUPAC4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C20H16F2N2OS/c21-20(22)26-16-11-9-15(10-12-16)19(25)24-18(14-6-2-1-3-7-14)17-8-4-5-13-23-17/h1-13,18,20H,(H,24,25)
InChIKeyVWPMMZMCSCTNDT-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.92
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide

4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 134025916) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID134025916
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C20H16F2N2OS/c21-20(22)26-16-11-9-15(10-12-16)19(25)24-18(14-6-2-1-3-7-14)17-8-4-5-13-23-17/h1-13,18,20H,(H,24,25)
InChIKeyVWPMMZMCSCTNDT-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46550378
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
6-oxo-N-[phenyl(pyridin-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 43008369
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 134025916) is 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1ccccn1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is VWPMMZMCSCTNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c21-20(22)26-16-11-9-15(10-12-16)19(25)24-18(14-6-2-1-3-7-14)17-8-4-5-13-23-17/h1-13,18,20H,(H,24,25).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide?
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 134025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).