2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide

C17H18F2N2O6S2 — CID 34055693

IUPAC2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O6S2/c1-21(11-16(22)20-12-4-3-5-13(10-12)27-2)29(25,26)15-8-6-14(7-9-15)28(23,24)17(18)19/h3-10,17H,11H2,1-2H3,(H,20,22)
InChIKeyQXLRMUFDIUWRLF-UHFFFAOYSA-N
MW448.47 g/mol
LogP1.95
Rot. Bonds8

About 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 34055693) has the molecular formula C17H18F2N2O6S2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID34055693
Molecular FormulaC17H18F2N2O6S2
Molecular Weight448.47 g/mol
Exact Mass448.06
IUPAC Name2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O6S2/c1-21(11-16(22)20-12-4-3-5-13(10-12)27-2)29(25,26)15-8-6-14(7-9-15)28(23,24)17(18)19/h3-10,17H,11H2,1-2H3,(H,20,22)
InChIKeyQXLRMUFDIUWRLF-UHFFFAOYSA-N
XLogP1.95
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 7510070
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
N-(3-methoxyphenyl)-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188603
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 3652975
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide (CID 34055693) is 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QXLRMUFDIUWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O6S2/c1-21(11-16(22)20-12-4-3-5-13(10-12)27-2)29(25,26)15-8-6-14(7-9-15)28(23,24)17(18)19/h3-10,17H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 448.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 34055693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).