2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C21H21FN2O5S3 — CID 43901770

IUPAC2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H21FN2O5S3/c1-15(16-5-11-19(12-6-16)31(2,26)27)23-20(25)14-24(18-9-7-17(22)8-10-18)32(28,29)21-4-3-13-30-21/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyGNTBZOMUNCAQKX-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.36
Rot. Bonds8

About 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 43901770) has the molecular formula C21H21FN2O5S3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID43901770
Molecular FormulaC21H21FN2O5S3
Molecular Weight496.61 g/mol
Exact Mass496.06
IUPAC Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H21FN2O5S3/c1-15(16-5-11-19(12-6-16)31(2,26)27)23-20(25)14-24(18-9-7-17(22)8-10-18)32(28,29)21-4-3-13-30-21/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyGNTBZOMUNCAQKX-UHFFFAOYSA-N
XLogP3.36
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896673
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43901748
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30213477

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 43901770) is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is GNTBZOMUNCAQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S3/c1-15(16-5-11-19(12-6-16)31(2,26)27)23-20(25)14-24(18-9-7-17(22)8-10-18)32(28,29)21-4-3-13-30-21/h3-13,15H,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 496.61 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 43901770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).