2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H22N2O4S — CID 18861355

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)coc2c1
InChIInChI=1S/C20H22N2O4S/c1-13-9-14(2)20-16(12-26-18(20)10-13)11-19(23)22-8-7-15-3-5-17(6-4-15)27(21,24)25/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyRLJJHSPNBBVBCZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.60
Rot. Bonds6

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 18861355) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID18861355
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)coc2c1
InChIInChI=1S/C20H22N2O4S/c1-13-9-14(2)20-16(12-26-18(20)10-13)11-19(23)22-8-7-15-3-5-17(6-4-15)27(21,24)25/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyRLJJHSPNBBVBCZ-UHFFFAOYSA-N
XLogP2.60
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,6-trimethyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 986536
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55864568
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
CID 55826561
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 18861355) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1cc(C)c2c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is RLJJHSPNBBVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-9-14(2)20-16(12-26-18(20)10-13)11-19(23)22-8-7-15-3-5-17(6-4-15)27(21,24)25/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 18861355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).