6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide

C23H21N3O5S — CID 166596042

IUPAC6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(-n3ccnc3)cc(C3CC3)cc2o1
InChIInChI=1S/C23H21N3O5S/c1-2-30-19-5-3-4-6-22(19)32(28,29)25-23(27)21-13-17-18(26-10-9-24-14-26)11-16(15-7-8-15)12-20(17)31-21/h3-6,9-15H,2,7-8H2,1H3,(H,25,27)
InChIKeyJHBOFPHQFLXHRU-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.01
Rot. Bonds7

About 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide

6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide (PubChem CID 166596042) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide
PubChem CID166596042
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(-n3ccnc3)cc(C3CC3)cc2o1
InChIInChI=1S/C23H21N3O5S/c1-2-30-19-5-3-4-6-22(19)32(28,29)25-23(27)21-13-17-18(26-10-9-24-14-26)11-16(15-7-8-15)12-20(17)31-21/h3-6,9-15H,2,7-8H2,1H3,(H,25,27)
InChIKeyJHBOFPHQFLXHRU-UHFFFAOYSA-N
XLogP4.01
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166595651
6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166596093
6-cyclopropyl-N-[2-ethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166596471
(2R)-1-[2-[(2-ethoxyphenyl)sulfonylcarbamoyl]-4-fluoro-1-benzofuran-6-yl]azetidine-2-carboxamide
CID 166596572
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881
6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167006960
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
N-(2-ethoxy-5-ethylphenyl)sulfonyl-4-fluoro-6-(3-fluoroazetidin-1-yl)-1-benzofuran-2-carboxamide
CID 166596385
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
2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108159

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide (CID 166596042) is 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide is CCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(-n3ccnc3)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is JHBOFPHQFLXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-2-30-19-5-3-4-6-22(19)32(28,29)25-23(27)21-13-17-18(26-10-9-24-14-26)11-16(15-7-8-15)12-20(17)31-21/h3-6,9-15H,2,7-8H2,1H3,(H,25,27).
What are the key properties of 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide?
6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166596042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).