N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide

C28H30N2O4S — CID 18861301

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C28H30N2O4S/c1-28(2,3)22-10-15-26-25(17-22)21(19-34-26)16-27(31)29-23-11-13-24(14-12-23)35(32,33)30(4)18-20-8-6-5-7-9-20/h5-15,17,19H,16,18H2,1-4H3,(H,29,31)
InChIKeyTWKOAKBITUERDA-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.73
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide (PubChem CID 18861301) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
PubChem CID18861301
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C28H30N2O4S/c1-28(2,3)22-10-15-26-25(17-22)21(19-34-26)16-27(31)29-23-11-13-24(14-12-23)35(32,33)30(4)18-20-8-6-5-7-9-20/h5-15,17,19H,16,18H2,1-4H3,(H,29,31)
InChIKeyTWKOAKBITUERDA-UHFFFAOYSA-N
XLogP5.73
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26899144
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]acetamide
CID 23833451
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046233
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 1259482
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18861285
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide (CID 18861301) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
The InChIKey is TWKOAKBITUERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-28(2,3)22-10-15-26-25(17-22)21(19-34-26)16-27(31)29-23-11-13-24(14-12-23)35(32,33)30(4)18-20-8-6-5-7-9-20/h5-15,17,19H,16,18H2,1-4H3,(H,29,31).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide has a molecular weight of 490.63 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18861301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).