(3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate

C18H20FNO5S — CID 8508281

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCOc1ccc(COC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1F
InChIInChI=1S/C18H20FNO5S/c1-13-6-4-5-7-16(13)20(26(3,22)23)11-18(21)25-12-14-8-9-17(24-2)15(19)10-14/h4-10H,11-12H2,1-3H3
InChIKeyLWIXRQNEISTESI-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.65
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate

(3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate (PubChem CID 8508281) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate
PubChem CID8508281
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCOc1ccc(COC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1F
InChIInChI=1S/C18H20FNO5S/c1-13-6-4-5-7-16(13)20(26(3,22)23)11-18(21)25-12-14-8-9-17(24-2)15(19)10-14/h4-10H,11-12H2,1-3H3
InChIKeyLWIXRQNEISTESI-UHFFFAOYSA-N
XLogP2.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55357626
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
[2-(benzylamino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508416
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55400580
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
[2-(4-chloroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508439

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate (CID 8508281) is (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate is COc1ccc(COC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
The InChIKey is LWIXRQNEISTESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-13-6-4-5-7-16(13)20(26(3,22)23)11-18(21)25-12-14-8-9-17(24-2)15(19)10-14/h4-10H,11-12H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate has a molecular weight of 381.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 8508281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).