4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide

C17H18F2N2O6S — CID 37065204

IUPAC4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H18F2N2O6S/c1-25-13-7-5-11(9-12(13)21-28(3,23)24)20-16(22)10-4-6-14(27-17(18)19)15(8-10)26-2/h4-9,17,21H,1-3H3,(H,20,22)
InChIKeyALFKNAATNONMJD-UHFFFAOYSA-N
MW416.40 g/mol
LogP2.93
Rot. Bonds8

About 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide (PubChem CID 37065204) has the molecular formula C17H18F2N2O6S and a molecular weight of 416.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
PubChem CID37065204
Molecular FormulaC17H18F2N2O6S
Molecular Weight416.40 g/mol
Exact Mass416.09
IUPAC Name4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H18F2N2O6S/c1-25-13-7-5-11(9-12(13)21-28(3,23)24)20-16(22)10-4-6-14(27-17(18)19)15(8-10)26-2/h4-9,17,21H,1-3H3,(H,20,22)
InChIKeyALFKNAATNONMJD-UHFFFAOYSA-N
XLogP2.93
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-(5-acetamido-2-chlorophenyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 55916592
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide (CID 37065204) is 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide is COc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1NS(C)(=O)=O.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide?
The InChIKey is ALFKNAATNONMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O6S/c1-25-13-7-5-11(9-12(13)21-28(3,23)24)20-16(22)10-4-6-14(27-17(18)19)15(8-10)26-2/h4-9,17,21H,1-3H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide has a molecular weight of 416.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide is sourced from PubChem (CID 37065204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).