6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide

C21H24N2O5S — CID 155233912

IUPAC6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc(C)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C21H24N2O5S/c1-5-10-27-17-9-6-14(2)11-20(17)29(25,26)22-21(24)19-12-15-7-8-16(23(3)4)13-18(15)28-19/h6-9,11-13H,5,10H2,1-4H3,(H,22,24)
InChIKeyYYUSTIDFVBSASR-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.71
Rot. Bonds7

About 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155233912) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155233912
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc(C)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C21H24N2O5S/c1-5-10-27-17-9-6-14(2)11-20(17)29(25,26)22-21(24)19-12-15-7-8-16(23(3)4)13-18(15)28-19/h6-9,11-13H,5,10H2,1-4H3,(H,22,24)
InChIKeyYYUSTIDFVBSASR-UHFFFAOYSA-N
XLogP3.71
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155233912) is 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCCOc1ccc(C)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1.
What is the InChIKey of 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is YYUSTIDFVBSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-5-10-27-17-9-6-14(2)11-20(17)29(25,26)22-21(24)19-12-15-7-8-16(23(3)4)13-18(15)28-19/h6-9,11-13H,5,10H2,1-4H3,(H,22,24).
What are the key properties of 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).