N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide

C19H21FN2O4S — CID 24785183

IUPACN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide
SMILESC=C(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-13(2)15-5-7-16(8-6-15)26-12-19(23)21-11-14-4-9-18(17(20)10-14)22-27(3,24)25/h4-10,22H,1,11-12H2,2-3H3,(H,21,23)
InChIKeyZILJQOKLZCXPGN-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.93
Rot. Bonds8

About N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide

N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide (PubChem CID 24785183) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide
PubChem CID24785183
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide
SMILESC=C(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O4S/c1-13(2)15-5-7-16(8-6-15)26-12-19(23)21-11-14-4-9-18(17(20)10-14)22-27(3,24)25/h4-10,22H,1,11-12H2,2-3H3,(H,21,23)
InChIKeyZILJQOKLZCXPGN-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide?
The IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide (CID 24785183) is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide is C=C(C)c1ccc(OCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide?
The InChIKey is ZILJQOKLZCXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13(2)15-5-7-16(8-6-15)26-12-19(23)21-11-14-4-9-18(17(20)10-14)22-27(3,24)25/h4-10,22H,1,11-12H2,2-3H3,(H,21,23).
What are the key properties of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide?
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide has a molecular weight of 392.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide is sourced from PubChem (CID 24785183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).