N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide

C24H29ClN2O3S — CID 22750984

IUPACN-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)NC(=O)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C24H29ClN2O3S/c1-19(18-22-10-12-23(25)13-11-22)31(29,30)26-24(28)27-16-14-21(15-17-27)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13,18,21H,5,8-9,14-17H2,1H3,(H,26,28)/b19-18+
InChIKeyZYRRCSSQEPMIOJ-VHEBQXMUSA-N
MW461.03 g/mol
LogP5.48
Rot. Bonds7

About N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide

N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 22750984) has the molecular formula C24H29ClN2O3S and a molecular weight of 461.03 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID22750984
Molecular FormulaC24H29ClN2O3S
Molecular Weight461.03 g/mol
Exact Mass460.16
IUPAC NameN-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)NC(=O)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C24H29ClN2O3S/c1-19(18-22-10-12-23(25)13-11-22)31(29,30)26-24(28)27-16-14-21(15-17-27)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13,18,21H,5,8-9,14-17H2,1H3,(H,26,28)/b19-18+
InChIKeyZYRRCSSQEPMIOJ-VHEBQXMUSA-N
XLogP5.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.03
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide 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 N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide (CID 22750984) is N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide is C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)NC(=O)N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is ZYRRCSSQEPMIOJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C24H29ClN2O3S/c1-19(18-22-10-12-23(25)13-11-22)31(29,30)26-24(28)27-16-14-21(15-17-27)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13,18,21H,5,8-9,14-17H2,1H3,(H,26,28)/b19-18+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide?
N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 461.03 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 22750984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).