N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C19H20F2N2O3S — CID 9429425

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESC[C@@H](NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O3S/c1-14(17-9-8-16(20)12-18(17)21)22-19(24)13-23(2)27(25,26)11-10-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,24)/b11-10+/t14-/m1/s1
InChIKeyUASTUXZXEVOXEH-PLSXKVAHSA-N
MW394.44 g/mol
LogP3.07
Rot. Bonds7

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 9429425) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID9429425
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESC[C@@H](NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O3S/c1-14(17-9-8-16(20)12-18(17)21)22-19(24)13-23(2)27(25,26)11-10-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,24)/b11-10+/t14-/m1/s1
InChIKeyUASTUXZXEVOXEH-PLSXKVAHSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide
CID 42948520
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396258
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544764
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 9429425) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is C[C@@H](NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is UASTUXZXEVOXEH-PLSXKVAHSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-14(17-9-8-16(20)12-18(17)21)22-19(24)13-23(2)27(25,26)11-10-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,22,24)/b11-10+/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 394.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 9429425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).