(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

C20H21F2NO4S — CID 42921231

IUPAC(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
SMILESCC(C)C(NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1cccc(F)c1F
InChIInChI=1S/C20H21F2NO4S/c1-14(2)19(20(24)27-13-16-9-6-10-17(21)18(16)22)23-28(25,26)12-11-15-7-4-3-5-8-15/h3-12,14,19,23H,13H2,1-2H3/b12-11+
InChIKeyYQVFARRPDCJAHX-VAWYXSNFSA-N
MW409.45 g/mol
LogP3.62
Rot. Bonds8

About (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate (PubChem CID 42921231) has the molecular formula C20H21F2NO4S and a molecular weight of 409.45 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
PubChem CID42921231
Molecular FormulaC20H21F2NO4S
Molecular Weight409.45 g/mol
Exact Mass409.12
IUPAC Name(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
SMILESCC(C)C(NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1cccc(F)c1F
InChIInChI=1S/C20H21F2NO4S/c1-14(2)19(20(24)27-13-16-9-6-10-17(21)18(16)22)23-28(25,26)12-11-15-7-4-3-5-8-15/h3-12,14,19,23H,13H2,1-2H3/b12-11+
InChIKeyYQVFARRPDCJAHX-VAWYXSNFSA-N
XLogP3.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]oxymethyl]benzoate
CID 18204954
(2,3-difluorophenyl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 24523961
[2-(carbamoylamino)-2-oxoethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate
CID 3530916
[2-(4-chlorophenyl)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
CID 18283563
[2-(benzhydrylamino)-2-oxoethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate
CID 3873515
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(2-phenylethenylsulfonylamino)butanoate
CID 3292056
[2-(1H-indol-3-yl)-2-oxoethyl] (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
CID 2570389
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 24614418
(E)-N-[1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
CID 17461555
N-(3-butoxypropyl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 42910795
(2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(pyridin-2-ylmethyl)butanamide
CID 9362383

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate?
The IUPAC name of (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate (CID 42921231) is (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate?
The canonical SMILES for (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate is CC(C)C(NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate?
The InChIKey is YQVFARRPDCJAHX-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H21F2NO4S/c1-14(2)19(20(24)27-13-16-9-6-10-17(21)18(16)22)23-28(25,26)12-11-15-7-4-3-5-8-15/h3-12,14,19,23H,13H2,1-2H3/b12-11+.
What are the key properties of (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate?
(2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate has a molecular weight of 409.45 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate is sourced from PubChem (CID 42921231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).