1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide

C23H26N2O3S — CID 78841149

IUPAC1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC#Cc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H26N2O3S/c1-2-29(27,28)25-18-15-23(16-19-25,21-13-7-4-8-14-21)22(26)24-17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,15-19H2,1H3,(H,24,26)
InChIKeyDGSADJYPWFJHKJ-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.54
Rot. Bonds5

About 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide

1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide (PubChem CID 78841149) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
PubChem CID78841149
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC#Cc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H26N2O3S/c1-2-29(27,28)25-18-15-23(16-19-25,21-13-7-4-8-14-21)22(26)24-17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,15-19H2,1H3,(H,24,26)
InChIKeyDGSADJYPWFJHKJ-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
1-ethylsulfonyl-4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78902535
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide (CID 78841149) is 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCC#Cc2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide?
The InChIKey is DGSADJYPWFJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-2-29(27,28)25-18-15-23(16-19-25,21-13-7-4-8-14-21)22(26)24-17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,15-19H2,1H3,(H,24,26).
What are the key properties of 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide?
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide is sourced from PubChem (CID 78841149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).