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

C18H20FNO4S — CID 59840738

IUPACethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate
SMILESCCOC(=O)C(c1cccc(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H20FNO4S/c1-4-24-18(21)17(13-7-5-6-12(2)10-13)14-8-9-16(15(19)11-14)20-25(3,22)23/h5-11,17,20H,4H2,1-3H3
InChIKeyDZRMTXLAMGYQGA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds6

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

ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate (PubChem CID 59840738) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate
PubChem CID59840738
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Nameethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate
SMILESCCOC(=O)C(c1cccc(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H20FNO4S/c1-4-24-18(21)17(13-7-5-6-12(2)10-13)14-8-9-16(15(19)11-14)20-25(3,22)23/h5-11,17,20H,4H2,1-3H3
InChIKeyDZRMTXLAMGYQGA-UHFFFAOYSA-N
XLogP3.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid
CID 59637288
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
ethyl N-[2-amino-4-[amino-(3-methylphenyl)methyl]phenyl]carbamate
CID 68514201
ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
ethyl (3R)-2-fluoro-3-hydroxy-3-(3-methylphenyl)propanoate
CID 23236665
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
ethyl (2S)-2-diethoxyphosphoryl-2-(3-methylphenyl)acetate
CID 125466808
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
ethyl 2-(3-methylphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)acetate
CID 79471553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate?
The IUPAC name of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate (CID 59840738) is ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate is CCOC(=O)C(c1cccc(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate?
The InChIKey is DZRMTXLAMGYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-4-24-18(21)17(13-7-5-6-12(2)10-13)14-8-9-16(15(19)11-14)20-25(3,22)23/h5-11,17,20H,4H2,1-3H3.
What are the key properties of ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate?
ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate has a molecular weight of 365.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate is sourced from PubChem (CID 59840738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).