6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide

C21H20FNO5S — CID 166596093

IUPAC6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C21H20FNO5S/c1-2-9-27-17-5-3-4-6-20(17)29(25,26)23-21(24)19-12-15-16(22)10-14(13-7-8-13)11-18(15)28-19/h3-6,10-13H,2,7-9H2,1H3,(H,23,24)
InChIKeyODHGVNVCLITLAK-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.36
Rot. Bonds7

About 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 166596093) has the molecular formula C21H20FNO5S and a molecular weight of 417.46 g/mol. Its IUPAC name is 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID166596093
Molecular FormulaC21H20FNO5S
Molecular Weight417.46 g/mol
Exact Mass417.10
IUPAC Name6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1
InChIInChI=1S/C21H20FNO5S/c1-2-9-27-17-5-3-4-6-20(17)29(25,26)23-21(24)19-12-15-16(22)10-14(13-7-8-13)11-18(15)28-19/h3-6,10-13H,2,7-9H2,1H3,(H,23,24)
InChIKeyODHGVNVCLITLAK-UHFFFAOYSA-N
XLogP4.36
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234510
6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234416
6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166595651
6-cyclopropyl-N-[2-ethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166596471
6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide
CID 166596042
(2R)-1-[2-[(2-ethoxyphenyl)sulfonylcarbamoyl]-4-fluoro-1-benzofuran-6-yl]azetidine-2-carboxamide
CID 166596572
6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167006960
6-(azetidin-1-yl)-N-(2,6-dipropoxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166595846
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
N-(2-ethoxy-5-ethylphenyl)sulfonyl-4-fluoro-6-(3-fluoroazetidin-1-yl)-1-benzofuran-2-carboxamide
CID 166596385
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 166596093) is 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is ODHGVNVCLITLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO5S/c1-2-9-27-17-5-3-4-6-20(17)29(25,26)23-21(24)19-12-15-16(22)10-14(13-7-8-13)11-18(15)28-19/h3-6,10-13H,2,7-9H2,1H3,(H,23,24).
What are the key properties of 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166596093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).