3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide

C19H17FN2O5S — CID 18585988

IUPAC3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O5S/c20-12-7-9-13(10-8-12)28(25,26)11-3-6-16(23)22-17-14-4-1-2-5-15(14)27-18(17)19(21)24/h1-2,4-5,7-10H,3,6,11H2,(H2,21,24)(H,22,23)
InChIKeyIMSBQOKUVTZYMQ-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.86
Rot. Bonds7

About 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide

3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide (PubChem CID 18585988) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
PubChem CID18585988
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC Name3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O5S/c20-12-7-9-13(10-8-12)28(25,26)11-3-6-16(23)22-17-14-4-1-2-5-15(14)27-18(17)19(21)24/h1-2,4-5,7-10H,3,6,11H2,(H2,21,24)(H,22,23)
InChIKeyIMSBQOKUVTZYMQ-UHFFFAOYSA-N
XLogP2.86
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
ethyl 3-[4-(4-methylphenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate
CID 41273431
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide
CID 17436206
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[(4-fluorophenyl)methyl]oxamide
CID 18587357
3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16837991
3-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 18575760
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide (CID 18585988) is 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide?
The InChIKey is IMSBQOKUVTZYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c20-12-7-9-13(10-8-12)28(25,26)11-3-6-16(23)22-17-14-4-1-2-5-15(14)27-18(17)19(21)24/h1-2,4-5,7-10H,3,6,11H2,(H2,21,24)(H,22,23).
What are the key properties of 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide?
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18585988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).