2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C19H16FN3O5S2 — CID 30270304

IUPAC2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H16FN3O5S2/c1-13-15(7-4-9-16(13)23(25)26)21-18(24)12-22(17-8-3-2-6-14(17)20)30(27,28)19-10-5-11-29-19/h2-11H,12H2,1H3,(H,21,24)
InChIKeyHXVIUMFFESZBIX-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.94
Rot. Bonds7

About 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 30270304) has the molecular formula C19H16FN3O5S2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID30270304
Molecular FormulaC19H16FN3O5S2
Molecular Weight449.49 g/mol
Exact Mass449.05
IUPAC Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H16FN3O5S2/c1-13-15(7-4-9-16(13)23(25)26)21-18(24)12-22(17-8-3-2-6-14(17)20)30(27,28)19-10-5-11-29-19/h2-11H,12H2,1H3,(H,21,24)
InChIKeyHXVIUMFFESZBIX-UHFFFAOYSA-N
XLogP3.94
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 30269413
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
dimethyl 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 30270471
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 30266955
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278
N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30265197
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43900672
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
N-(2-benzoyl-4-chlorophenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43900835
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43900657
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 30270304) is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is HXVIUMFFESZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5S2/c1-13-15(7-4-9-16(13)23(25)26)21-18(24)12-22(17-8-3-2-6-14(17)20)30(27,28)19-10-5-11-29-19/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 449.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 30270304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).