N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide

C15H13F2NO2S — CID 26181019

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H13F2NO2S/c1-20-12-8-4-2-6-10(12)14(19)18-11-7-3-5-9-13(11)21-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyGIVWUQJOHAPUSI-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide (PubChem CID 26181019) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
PubChem CID26181019
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H13F2NO2S/c1-20-12-8-4-2-6-10(12)14(19)18-11-7-3-5-9-13(11)21-15(16)17/h2-9,15H,1H3,(H,18,19)
InChIKeyGIVWUQJOHAPUSI-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide (CID 26181019) is N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide?
The InChIKey is GIVWUQJOHAPUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-20-12-8-4-2-6-10(12)14(19)18-11-7-3-5-9-13(11)21-15(16)17/h2-9,15H,1H3,(H,18,19).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide has a molecular weight of 309.34 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 26181019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).