6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide

C20H19F3N2O5S — CID 155234881

IUPAC6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(C(F)(F)F)cc(N(C)C)cc2o1
InChIInChI=1S/C20H19F3N2O5S/c1-4-29-15-7-5-6-8-18(15)31(27,28)24-19(26)17-11-13-14(20(21,22)23)9-12(25(2)3)10-16(13)30-17/h5-11H,4H2,1-3H3,(H,24,26)
InChIKeyMBVLCHIGJHETJU-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.03
Rot. Bonds6

About 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide (PubChem CID 155234881) has the molecular formula C20H19F3N2O5S and a molecular weight of 456.44 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
PubChem CID155234881
Molecular FormulaC20H19F3N2O5S
Molecular Weight456.44 g/mol
Exact Mass456.10
IUPAC Name6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(C(F)(F)F)cc(N(C)C)cc2o1
InChIInChI=1S/C20H19F3N2O5S/c1-4-29-15-7-5-6-8-18(15)31(27,28)24-19(26)17-11-13-14(20(21,22)23)9-12(25(2)3)10-16(13)30-17/h5-11H,4H2,1-3H3,(H,24,26)
InChIKeyMBVLCHIGJHETJU-UHFFFAOYSA-N
XLogP4.03
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
6-bromo-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234510
(2R)-1-[2-[(2-ethoxyphenyl)sulfonylcarbamoyl]-4-fluoro-1-benzofuran-6-yl]azetidine-2-carboxamide
CID 166596572
(1-iodo-2-methylpropan-2-yl) N-[2-[2-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]phenoxy]ethyl]carbamate
CID 155244963
6-cyclopropyl-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166596093
6-cyclopropyl-N-(2-ethoxyphenyl)sulfonyl-4-imidazol-1-yl-1-benzofuran-2-carboxamide
CID 166596042
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
6-cyclopropyl-N-[2-ethoxy-5-(trifluoromethoxy)phenyl]sulfonyl-4-fluoro-1-benzofuran-2-carboxamide
CID 166596471

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide (CID 155234881) is 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide is CCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(C(F)(F)F)cc(N(C)C)cc2o1.
What is the InChIKey of 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MBVLCHIGJHETJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O5S/c1-4-29-15-7-5-6-8-18(15)31(27,28)24-19(26)17-11-13-14(20(21,22)23)9-12(25(2)3)10-16(13)30-17/h5-11H,4H2,1-3H3,(H,24,26).
What are the key properties of 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide has a molecular weight of 456.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).