N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide

C20H22N2O4S — CID 2921828

IUPACN-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O4S/c1-15(23)17-6-5-7-18(14-17)21-20(24)16-10-12-22(13-11-16)27(25,26)19-8-3-2-4-9-19/h2-9,14,16H,10-13H2,1H3,(H,21,24)
InChIKeyHADHSGCVNKDSEW-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.93
Rot. Bonds5

About N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide

N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide (PubChem CID 2921828) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide
PubChem CID2921828
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H22N2O4S/c1-15(23)17-6-5-7-18(14-17)21-20(24)16-10-12-22(13-11-16)27(25,26)19-8-3-2-4-9-19/h2-9,14,16H,10-13H2,1H3,(H,21,24)
InChIKeyHADHSGCVNKDSEW-UHFFFAOYSA-N
XLogP2.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-1-(benzenesulfonyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide (CID 2921828) is N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide is CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide?
The InChIKey is HADHSGCVNKDSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(23)17-6-5-7-18(14-17)21-20(24)16-10-12-22(13-11-16)27(25,26)19-8-3-2-4-9-19/h2-9,14,16H,10-13H2,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide?
N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 2921828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).