ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate

C23H22FNO4S — CID 145477050

IUPACethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3C)cc2)c1
InChIInChI=1S/C23H22FNO4S/c1-3-29-23(26)15-17-5-4-6-20(14-17)25-30(27,28)21-10-7-18(8-11-21)22-12-9-19(24)13-16(22)2/h4-14,25H,3,15H2,1-2H3
InChIKeyNPQVQYQCVKVZSK-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.71
Rot. Bonds7

About ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate

ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate (PubChem CID 145477050) has the molecular formula C23H22FNO4S and a molecular weight of 427.50 g/mol. Its IUPAC name is ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate
PubChem CID145477050
Molecular FormulaC23H22FNO4S
Molecular Weight427.50 g/mol
Exact Mass427.13
IUPAC Nameethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3C)cc2)c1
InChIInChI=1S/C23H22FNO4S/c1-3-29-23(26)15-17-5-4-6-20(14-17)25-30(27,28)21-10-7-18(8-11-21)22-12-9-19(24)13-16(22)2/h4-14,25H,3,15H2,1-2H3
InChIKeyNPQVQYQCVKVZSK-UHFFFAOYSA-N
XLogP4.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate 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

Benzyl 3-fluoro-2-[2,3,4-trimethyl-6-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 154721511
2-[3-(5,6,7,8-Tetrahydronaphthalen-1-ylsulfonylamino)phenyl]acetic acid
CID 137986886
Methyl 2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]acetate
CID 23000564
Diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094695
Diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
CID 25094696
Ethyl 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzoate
CID 25094975
2-[4-[(4-Fluorophenyl)sulfamoyl]-2-methylphenyl]acetic acid
CID 54239430
Ethyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 59571922
Ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(2-methylphenyl)acetate
CID 59840724
Methyl 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67328564
Ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate
CID 70847530
Ethyl 2-[2-cyclohexyl-3-fluoro-4-(methanesulfonamido)phenyl]acetate
CID 70847544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate (CID 145477050) is ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate is CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3C)cc2)c1.
What is the InChIKey of ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate?
The InChIKey is NPQVQYQCVKVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4S/c1-3-29-23(26)15-17-5-4-6-20(14-17)25-30(27,28)21-10-7-18(8-11-21)22-12-9-19(24)13-16(22)2/h4-14,25H,3,15H2,1-2H3.
What are the key properties of ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate?
ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate has a molecular weight of 427.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[4-(4-fluoro-2-methylphenyl)phenyl]sulfonylamino]phenyl]acetate is sourced from PubChem (CID 145477050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).