2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide

C21H21FN2O4S2 — CID 78839418

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O4S2/c1-15(20-8-5-13-29-20)23-21(25)14-24(18-6-3-4-7-19(18)28-2)30(26,27)17-11-9-16(22)10-12-17/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyGFOGMSZASXXVPF-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.97
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide

2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 78839418) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID78839418
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O4S2/c1-15(20-8-5-13-29-20)23-21(25)14-24(18-6-3-4-7-19(18)28-2)30(26,27)17-11-9-16(22)10-12-17/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyGFOGMSZASXXVPF-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 92681700
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897780
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
N-[(2-chlorophenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 30232771
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43901770
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide (CID 78839418) is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide is COc1ccccc1N(CC(=O)NC(C)c1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is GFOGMSZASXXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c1-15(20-8-5-13-29-20)23-21(25)14-24(18-6-3-4-7-19(18)28-2)30(26,27)17-11-9-16(22)10-12-17/h3-13,15H,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide?
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 78839418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).