2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide

C16H15F2NO3S — CID 51149413

IUPAC2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC)c2)c1OC(F)F
InChIInChI=1S/C16H15F2NO3S/c1-21-13-8-4-7-12(14(13)22-16(17)18)15(20)19-10-5-3-6-11(9-10)23-2/h3-9,16H,1-2H3,(H,19,20)
InChIKeyNIQGJSKIBJSHLE-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.27
Rot. Bonds6

About 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 51149413) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
PubChem CID51149413
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC)c2)c1OC(F)F
InChIInChI=1S/C16H15F2NO3S/c1-21-13-8-4-7-12(14(13)22-16(17)18)15(20)19-10-5-3-6-11(9-10)23-2/h3-9,16H,1-2H3,(H,19,20)
InChIKeyNIQGJSKIBJSHLE-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide (CID 51149413) is 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide is COc1cccc(C(=O)Nc2cccc(SC)c2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is NIQGJSKIBJSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-21-13-8-4-7-12(14(13)22-16(17)18)15(20)19-10-5-3-6-11(9-10)23-2/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 339.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 51149413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).