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

C21H26N2O3S — CID 90993844

IUPAC4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESC=Cc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/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/h5-13,15-16,22H,1,14H2,2-4H3,(H,23,24)
InChIKeyOLQSZFGSFGPDPJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.01
Rot. Bonds8

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

4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (PubChem CID 90993844) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
PubChem CID90993844
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide
SMILESC=Cc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/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/h5-13,15-16,22H,1,14H2,2-4H3,(H,23,24)
InChIKeyOLQSZFGSFGPDPJ-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The IUPAC name of 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide (CID 90993844) is 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The canonical SMILES for 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is C=Cc1ccc(C(=O)Nc2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
The InChIKey is OLQSZFGSFGPDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/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/h5-13,15-16,22H,1,14H2,2-4H3,(H,23,24).
What are the key properties of 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide?
4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide is sourced from PubChem (CID 90993844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).