N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide

C18H20F2N2O5S — CID 56550038

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1OC(F)F
InChIInChI=1S/C18H20F2N2O5S/c1-22(11-13-5-8-15(26-2)16(9-13)27-18(19)20)17(23)10-12-3-6-14(7-4-12)28(21,24)25/h3-9,18H,10-11H2,1-2H3,(H2,21,24,25)
InChIKeyCGIMHRPZDHSJCI-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.15
Rot. Bonds8

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56550038) has the molecular formula C18H20F2N2O5S and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
PubChem CID56550038
Molecular FormulaC18H20F2N2O5S
Molecular Weight414.43 g/mol
Exact Mass414.11
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1OC(F)F
InChIInChI=1S/C18H20F2N2O5S/c1-22(11-13-5-8-15(26-2)16(9-13)27-18(19)20)17(23)10-12-3-6-14(7-4-12)28(21,24)25/h3-9,18H,10-11H2,1-2H3,(H2,21,24,25)
InChIKeyCGIMHRPZDHSJCI-UHFFFAOYSA-N
XLogP2.15
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55653319
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611791
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-4-nitrobenzamide
CID 55612063
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 46406134
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide
CID 31884295
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 55611938
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-propan-2-ylamino]acetic acid
CID 65056950
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide (CID 56550038) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide is COc1ccc(CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is CGIMHRPZDHSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O5S/c1-22(11-13-5-8-15(26-2)16(9-13)27-18(19)20)17(23)10-12-3-6-14(7-4-12)28(21,24)25/h3-9,18H,10-11H2,1-2H3,(H2,21,24,25).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 414.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56550038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).