4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide

C17H17F2NO5S — CID 9072147

IUPAC4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO5S/c1-3-24-15-9-11(7-8-14(15)25-17(18)19)16(21)20-12-5-4-6-13(10-12)26(2,22)23/h4-10,17H,3H2,1-2H3,(H,20,21)
InChIKeyJQQXYAZOVQPKST-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.34
Rot. Bonds7

About 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide

4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 9072147) has the molecular formula C17H17F2NO5S and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
PubChem CID9072147
Molecular FormulaC17H17F2NO5S
Molecular Weight385.39 g/mol
Exact Mass385.08
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO5S/c1-3-24-15-9-11(7-8-14(15)25-17(18)19)16(21)20-12-5-4-6-13(10-12)26(2,22)23/h4-10,17H,3H2,1-2H3,(H,20,21)
InChIKeyJQQXYAZOVQPKST-UHFFFAOYSA-N
XLogP3.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide
CID 26846700
4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9071230
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide (CID 9072147) is 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide is CCOc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is JQQXYAZOVQPKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5S/c1-3-24-15-9-11(7-8-14(15)25-17(18)19)16(21)20-12-5-4-6-13(10-12)26(2,22)23/h4-10,17H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide?
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 385.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 9072147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).