4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide

C14H12F2N2O2S — CID 42030650

IUPAC4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cn1
InChIInChI=1S/C14H12F2N2O2S/c1-20-12-7-4-10(8-17-12)18-13(19)9-2-5-11(6-3-9)21-14(15)16/h2-8,14H,1H3,(H,18,19)
InChIKeyVNJGMXHREOTVAU-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.66
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide

4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 42030650) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID42030650
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cn1
InChIInChI=1S/C14H12F2N2O2S/c1-20-12-7-4-10(8-17-12)18-13(19)9-2-5-11(6-3-9)21-14(15)16/h2-8,14H,1H3,(H,18,19)
InChIKeyVNJGMXHREOTVAU-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2567810
4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 40599544
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide (CID 42030650) is 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cn1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is VNJGMXHREOTVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c1-20-12-7-4-10(8-17-12)18-13(19)9-2-5-11(6-3-9)21-14(15)16/h2-8,14H,1H3,(H,18,19).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide?
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 310.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 42030650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).