2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide

C20H18F2N2O6S — CID 55342860

IUPAC2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1OC(F)F
InChIInChI=1S/C20H18F2N2O6S/c1-28-17-9-3-8-16(18(17)30-20(21)22)19(25)24-13-5-2-7-15(11-13)31(26,27)23-12-14-6-4-10-29-14/h2-11,20,23H,12H2,1H3,(H,24,25)
InChIKeyWMSHRTATHNZVIG-UHFFFAOYSA-N
MW452.44 g/mol
LogP3.62
Rot. Bonds9

About 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide

2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide (PubChem CID 55342860) has the molecular formula C20H18F2N2O6S and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide
PubChem CID55342860
Molecular FormulaC20H18F2N2O6S
Molecular Weight452.44 g/mol
Exact Mass452.09
IUPAC Name2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1OC(F)F
InChIInChI=1S/C20H18F2N2O6S/c1-28-17-9-3-8-16(18(17)30-20(21)22)19(25)24-13-5-2-7-15(11-13)31(26,27)23-12-14-6-4-10-29-14/h2-11,20,23H,12H2,1H3,(H,24,25)
InChIKeyWMSHRTATHNZVIG-UHFFFAOYSA-N
XLogP3.62
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590181
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46798356
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide (CID 55342860) is 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide?
The InChIKey is WMSHRTATHNZVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O6S/c1-28-17-9-3-8-16(18(17)30-20(21)22)19(25)24-13-5-2-7-15(11-13)31(26,27)23-12-14-6-4-10-29-14/h2-11,20,23H,12H2,1H3,(H,24,25).
What are the key properties of 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide has a molecular weight of 452.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 55342860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).