2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide

C18H17F2N3O4S — CID 49336755

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H17F2N3O4S/c1-23(28(25,26)16-7-5-13(10-21)6-8-16)12-17(24)22-11-14-3-2-4-15(9-14)27-18(19)20/h2-9,18H,11-12H2,1H3,(H,22,24)
InChIKeyFBIHRQKHJZISHJ-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.10
Rot. Bonds8

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 49336755) has the molecular formula C18H17F2N3O4S and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID49336755
Molecular FormulaC18H17F2N3O4S
Molecular Weight409.41 g/mol
Exact Mass409.09
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C18H17F2N3O4S/c1-23(28(25,26)16-7-5-13(10-21)6-8-16)12-17(24)22-11-14-3-2-4-15(9-14)27-18(19)20/h2-9,18H,11-12H2,1H3,(H,22,24)
InChIKeyFBIHRQKHJZISHJ-UHFFFAOYSA-N
XLogP2.10
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55747187
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33116898
N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
CID 46415351
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522679
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100563559
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
3-[[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]methyl]-N-ethylbenzamide
CID 55848509

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide (CID 49336755) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide is CN(CC(=O)NCc1cccc(OC(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is FBIHRQKHJZISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4S/c1-23(28(25,26)16-7-5-13(10-21)6-8-16)12-17(24)22-11-14-3-2-4-15(9-14)27-18(19)20/h2-9,18H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 409.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 49336755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).