methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate

C14H12FNO5S2 — CID 7544880

IUPACmethyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO5S2/c1-21-14(18)11-6-7-22-13(11)16-12(17)8-23(19,20)10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyYHTQZOJLSLDDFD-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate (PubChem CID 7544880) has the molecular formula C14H12FNO5S2 and a molecular weight of 357.38 g/mol. Its IUPAC name is methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
PubChem CID7544880
Molecular FormulaC14H12FNO5S2
Molecular Weight357.38 g/mol
Exact Mass357.01
IUPAC Namemethyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO5S2/c1-21-14(18)11-6-7-22-13(11)16-12(17)8-23(19,20)10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyYHTQZOJLSLDDFD-UHFFFAOYSA-N
XLogP2.09
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 41145970
2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
CID 18586190
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
CID 7546520
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
methyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808764
2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide
CID 43980674
methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808735
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
methyl 2-[[2-(azepan-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 6471025

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate (CID 7544880) is methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate?
The InChIKey is YHTQZOJLSLDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5S2/c1-21-14(18)11-6-7-22-13(11)16-12(17)8-23(19,20)10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7544880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).