N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

C22H26N2O5S — CID 16564355

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)oc2ccccc12
InChIInChI=1S/C22H26N2O5S/c1-6-28-13-18-17-9-7-8-10-20(17)29-21(18)22(25)23-19-12-16(11-14(2)15(19)3)30(26,27)24(4)5/h7-12H,6,13H2,1-5H3,(H,23,25)
InChIKeyDSWXRZHLXCFNQI-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.09
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 16564355) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID16564355
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)oc2ccccc12
InChIInChI=1S/C22H26N2O5S/c1-6-28-13-18-17-9-7-8-10-20(17)29-21(18)22(25)23-19-12-16(11-14(2)15(19)3)30(26,27)24(4)5/h7-12H,6,13H2,1-5H3,(H,23,25)
InChIKeyDSWXRZHLXCFNQI-UHFFFAOYSA-N
XLogP4.09
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16520047
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 34188198
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 16575231
3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7957155
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
CID 78812993
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (CID 16564355) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)oc2ccccc12.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DSWXRZHLXCFNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-6-28-13-18-17-9-7-8-10-20(17)29-21(18)22(25)23-19-12-16(11-14(2)15(19)3)30(26,27)24(4)5/h7-12H,6,13H2,1-5H3,(H,23,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).