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

C22H24N2O5S — CID 166595651

IUPAC6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(N(C)C)cc(C3CC3)cc2o1
InChIInChI=1S/C22H24N2O5S/c1-4-28-18-7-5-6-8-21(18)30(26,27)23-22(25)20-13-16-17(24(2)3)11-15(14-9-10-14)12-19(16)29-20/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,25)
InChIKeyFCABPWIQCKECJK-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.89
Rot. Bonds7

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

6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 166595651) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID166595651
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(N(C)C)cc(C3CC3)cc2o1
InChIInChI=1S/C22H24N2O5S/c1-4-28-18-7-5-6-8-21(18)30(26,27)23-22(25)20-13-16-17(24(2)3)11-15(14-9-10-14)12-19(16)29-20/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,25)
InChIKeyFCABPWIQCKECJK-UHFFFAOYSA-N
XLogP3.89
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 166595651) is 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCOc1ccccc1S(=O)(=O)NC(=O)c1cc2c(N(C)C)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is FCABPWIQCKECJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-4-28-18-7-5-6-8-21(18)30(26,27)23-22(25)20-13-16-17(24(2)3)11-15(14-9-10-14)12-19(16)29-20/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,25).
What are the key properties of 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).