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

C16H15F2NO3S — CID 4864816

IUPAC4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2SC)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3S/c1-21-13-9-10(7-8-12(13)22-16(17)18)15(20)19-11-5-3-4-6-14(11)23-2/h3-9,16H,1-2H3,(H,19,20)
InChIKeySVBASRFRNXPFHW-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.27
Rot. Bonds6

About 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide

4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 4864816) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
PubChem CID4864816
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2SC)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3S/c1-21-13-9-10(7-8-12(13)22-16(17)18)15(20)19-11-5-3-4-6-14(11)23-2/h3-9,16H,1-2H3,(H,19,20)
InChIKeySVBASRFRNXPFHW-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

Analyze 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-(5-acetamido-2-chlorophenyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 55916592
N-[2-(difluoromethoxy)phenyl]-4-methylsulfanyl-3-nitrobenzamide
CID 2671084
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide
CID 56522794
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide (CID 4864816) is 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2SC)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is SVBASRFRNXPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-21-13-9-10(7-8-12(13)22-16(17)18)15(20)19-11-5-3-4-6-14(11)23-2/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(2-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 4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 4864816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).