4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide

C21H28N2O3S — CID 56978389

IUPAC4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-17-6-8-19(9-7-17)21(24)23-20-12-10-18(11-13-20)16(4)14-22-27(25,26)15(2)3/h6-13,15-16,22H,5,14H2,1-4H3,(H,23,24)
InChIKeyJIUOLIQWGSCDLC-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.93
Rot. Bonds8

About 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide

4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (PubChem CID 56978389) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
PubChem CID56978389
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-17-6-8-19(9-7-17)21(24)23-20-12-10-18(11-13-20)16(4)14-22-27(25,26)15(2)3/h6-13,15-16,22H,5,14H2,1-4H3,(H,23,24)
InChIKeyJIUOLIQWGSCDLC-UHFFFAOYSA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide 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-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (CID 56978389) is 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The InChIKey is JIUOLIQWGSCDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-6-8-19(9-7-17)21(24)23-20-12-10-18(11-13-20)16(4)14-22-27(25,26)15(2)3/h6-13,15-16,22H,5,14H2,1-4H3,(H,23,24).
What are the key properties of 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is sourced from PubChem (CID 56978389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).