2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C21H21FN2O4S2 — CID 30276844

IUPAC2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21FN2O4S2/c1-23(14-16-9-11-17(28-2)12-10-16)20(25)15-24(19-7-4-3-6-18(19)22)30(26,27)21-8-5-13-29-21/h3-13H,14-15H2,1-2H3
InChIKeyFSIJZLONAHRLKL-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.75
Rot. Bonds8

About 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 30276844) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID30276844
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21FN2O4S2/c1-23(14-16-9-11-17(28-2)12-10-16)20(25)15-24(19-7-4-3-6-18(19)22)30(26,27)21-8-5-13-29-21/h3-13H,14-15H2,1-2H3
InChIKeyFSIJZLONAHRLKL-UHFFFAOYSA-N
XLogP3.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 30276844) is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is FSIJZLONAHRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c1-23(14-16-9-11-17(28-2)12-10-16)20(25)15-24(19-7-4-3-6-18(19)22)30(26,27)21-8-5-13-29-21/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 448.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 30276844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).