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

C20H21FN2O5S — CID 155234416

IUPAC6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N(C)C)cc2o1
InChIInChI=1S/C20H21FN2O5S/c1-4-9-27-16-7-5-6-8-19(16)29(25,26)22-20(24)18-12-14-15(21)10-13(23(2)3)11-17(14)28-18/h5-8,10-12H,4,9H2,1-3H3,(H,22,24)
InChIKeyORDQTBDHIYCEBZ-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.55
Rot. Bonds7

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

6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155234416) has the molecular formula C20H21FN2O5S and a molecular weight of 420.46 g/mol. Its IUPAC name is 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155234416
Molecular FormulaC20H21FN2O5S
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N(C)C)cc2o1
InChIInChI=1S/C20H21FN2O5S/c1-4-9-27-16-7-5-6-8-19(16)29(25,26)22-20(24)18-12-14-15(21)10-13(23(2)3)11-17(14)28-18/h5-8,10-12H,4,9H2,1-3H3,(H,22,24)
InChIKeyORDQTBDHIYCEBZ-UHFFFAOYSA-N
XLogP3.55
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234510
6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166596093
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-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
6-(azetidin-1-yl)-N-(2,6-dipropoxyphenyl)sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166595846
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166595651
(1-iodo-2-methylpropan-2-yl) N-[2-[2-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]phenoxy]ethyl]carbamate
CID 155244963
N-(2-ethoxy-5-ethylphenyl)sulfonyl-4-fluoro-6-(3-fluoroazetidin-1-yl)-1-benzofuran-2-carboxamide
CID 166596385
6-(dimethylamino)-5-fluoro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234224

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155234416) is 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N(C)C)cc2o1.
What is the InChIKey of 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is ORDQTBDHIYCEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5S/c1-4-9-27-16-7-5-6-8-19(16)29(25,26)22-20(24)18-12-14-15(21)10-13(23(2)3)11-17(14)28-18/h5-8,10-12H,4,9H2,1-3H3,(H,22,24).
What are the key properties of 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).