N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C20H22FN3O4S — CID 9439731

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22FN3O4S/c1-24(15-19(25)23-18-9-5-8-17(21)14-18)20(26)10-12-22-29(27,28)13-11-16-6-3-2-4-7-16/h2-9,11,13-14,22H,10,12,15H2,1H3,(H,23,25)/b13-11+
InChIKeyTVKCLNNEWOGLAT-ACCUITESSA-N
MW419.48 g/mol
LogP2.20
Rot. Bonds9

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 9439731) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID9439731
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H22FN3O4S/c1-24(15-19(25)23-18-9-5-8-17(21)14-18)20(26)10-12-22-29(27,28)13-11-16-6-3-2-4-7-16/h2-9,11,13-14,22H,10,12,15H2,1H3,(H,23,25)/b13-11+
InChIKeyTVKCLNNEWOGLAT-ACCUITESSA-N
XLogP2.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-(3-fluorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26579069
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 36784889
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38807911
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8676077
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 9439731) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is TVKCLNNEWOGLAT-ACCUITESSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-24(15-19(25)23-18-9-5-8-17(21)14-18)20(26)10-12-22-29(27,28)13-11-16-6-3-2-4-7-16/h2-9,11,13-14,22H,10,12,15H2,1H3,(H,23,25)/b13-11+.
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 419.48 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 9439731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).