N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C20H22N2O6S — CID 7750652

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)c(C)c2c1
InChIInChI=1S/C20H22N2O6S/c1-12-15-10-13(26-4)6-8-17(15)28-19(12)20(23)21-16-11-14(7-9-18(16)27-5)29(24,25)22(2)3/h6-11H,1-5H3,(H,21,23)
InChIKeyJLMKVDVCGWODMC-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.26
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7750652) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7750652
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)c(C)c2c1
InChIInChI=1S/C20H22N2O6S/c1-12-15-10-13(26-4)6-8-17(15)28-19(12)20(23)21-16-11-14(7-9-18(16)27-5)29(24,25)22(2)3/h6-11H,1-5H3,(H,21,23)
InChIKeyJLMKVDVCGWODMC-UHFFFAOYSA-N
XLogP3.26
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24588190
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 7750652) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)c(C)c2c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JLMKVDVCGWODMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-12-15-10-13(26-4)6-8-17(15)28-19(12)20(23)21-16-11-14(7-9-18(16)27-5)29(24,25)22(2)3/h6-11H,1-5H3,(H,21,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7750652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).