N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C18H18F2N2O4S — CID 2092571

IUPACN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18F2N2O4S/c1-22(27(24,25)12-11-14-5-3-2-4-6-14)13-17(23)21-15-7-9-16(10-8-15)26-18(19)20/h2-12,18H,13H2,1H3,(H,21,23)/b12-11+
InChIKeyHYXWLPXQBCAWFX-VAWYXSNFSA-N
MW396.42 g/mol
LogP3.16
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 2092571) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID2092571
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18F2N2O4S/c1-22(27(24,25)12-11-14-5-3-2-4-6-14)13-17(23)21-15-7-9-16(10-8-15)26-18(19)20/h2-12,18H,13H2,1H3,(H,21,23)/b12-11+
InChIKeyHYXWLPXQBCAWFX-VAWYXSNFSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 2092571) is N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is HYXWLPXQBCAWFX-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-22(27(24,25)12-11-14-5-3-2-4-6-14)13-17(23)21-15-7-9-16(10-8-15)26-18(19)20/h2-12,18H,13H2,1H3,(H,21,23)/b12-11+.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 396.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 2092571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).