4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide

C17H21NO4S — CID 3730213

IUPAC4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1
InChIInChI=1S/C17H21NO4S/c1-13(6-9-16-5-4-12-22-16)18(3)23(20,21)17-10-7-15(8-11-17)14(2)19/h4-5,7-8,10-13H,6,9H2,1-3H3
InChIKeyBUUHJMWSTDBLQD-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.12
Rot. Bonds7

About 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide

4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide (PubChem CID 3730213) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide
PubChem CID3730213
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1
InChIInChI=1S/C17H21NO4S/c1-13(6-9-16-5-4-12-22-16)18(3)23(20,21)17-10-7-15(8-11-17)14(2)19/h4-5,7-8,10-13H,6,9H2,1-3H3
InChIKeyBUUHJMWSTDBLQD-UHFFFAOYSA-N
XLogP3.12
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide (CID 3730213) is 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)C(C)CCc2ccco2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide?
The InChIKey is BUUHJMWSTDBLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13(6-9-16-5-4-12-22-16)18(3)23(20,21)17-10-7-15(8-11-17)14(2)19/h4-5,7-8,10-13H,6,9H2,1-3H3.
What are the key properties of 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide?
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 3730213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).