4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide

C22H25ClN2O3S — CID 22750800

IUPAC4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O3S/c1-17(15-19-7-9-21(23)10-8-19)29(27,28)24-22(26)25-13-11-20(12-14-25)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,24,26)/b17-15+
InChIKeyXKZXVFKZYCUVGH-BMRADRMJSA-N
MW432.97 g/mol
LogP4.69
Rot. Bonds5

About 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide

4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide (PubChem CID 22750800) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide
PubChem CID22750800
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC Name4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O3S/c1-17(15-19-7-9-21(23)10-8-19)29(27,28)24-22(26)25-13-11-20(12-14-25)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,24,26)/b17-15+
InChIKeyXKZXVFKZYCUVGH-BMRADRMJSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide (CID 22750800) is 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide is C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)NC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide?
The InChIKey is XKZXVFKZYCUVGH-BMRADRMJSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-17(15-19-7-9-21(23)10-8-19)29(27,28)24-22(26)25-13-11-20(12-14-25)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,24,26)/b17-15+.
What are the key properties of 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide?
4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide has a molecular weight of 432.97 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 22750800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).