N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide

C20H21NO4S — CID 1333793

IUPACN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12
InChIInChI=1S/C20H21NO4S/c1-12(2)15-5-8-17(9-6-15)26(23,24)21-16-7-10-19-18(11-16)20(13(3)22)14(4)25-19/h5-12,21H,1-4H3
InChIKeyMVZMTBUGJYSYSR-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.87
Rot. Bonds5

About N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 1333793) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID1333793
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12
InChIInChI=1S/C20H21NO4S/c1-12(2)15-5-8-17(9-6-15)26(23,24)21-16-7-10-19-18(11-16)20(13(3)22)14(4)25-19/h5-12,21H,1-4H3
InChIKeyMVZMTBUGJYSYSR-UHFFFAOYSA-N
XLogP4.87
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide (CID 1333793) is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide is CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12.
What is the InChIKey of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is MVZMTBUGJYSYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-12(2)15-5-8-17(9-6-15)26(23,24)21-16-7-10-19-18(11-16)20(13(3)22)14(4)25-19/h5-12,21H,1-4H3.
What are the key properties of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide?
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1333793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).