4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

C17H18F2N2O5S — CID 9219582

IUPAC4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O5S/c1-3-25-15-10-11(4-9-14(15)26-17(18)19)16(22)21-12-5-7-13(8-6-12)27(23,24)20-2/h4-10,17,20H,3H2,1-2H3,(H,21,22)
InChIKeyCNGNPTJNRLEOQO-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.85
Rot. Bonds8

About 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 9219582) has the molecular formula C17H18F2N2O5S and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID9219582
Molecular FormulaC17H18F2N2O5S
Molecular Weight400.40 g/mol
Exact Mass400.09
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O5S/c1-3-25-15-10-11(4-9-14(15)26-17(18)19)16(22)21-12-5-7-13(8-6-12)27(23,24)20-2/h4-10,17,20H,3H2,1-2H3,(H,21,22)
InChIKeyCNGNPTJNRLEOQO-UHFFFAOYSA-N
XLogP2.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9072147
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 2532367
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 9219582) is 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is CNGNPTJNRLEOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S/c1-3-25-15-10-11(4-9-14(15)26-17(18)19)16(22)21-12-5-7-13(8-6-12)27(23,24)20-2/h4-10,17,20H,3H2,1-2H3,(H,21,22).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9219582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).