N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide

C17H22N2O3S — CID 121186921

IUPACN-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C17H22N2O3S/c1-13-3-2-4-16(11-13)23(21,22)18-12-17(20)19-9-7-15(8-10-19)14-5-6-14/h2-4,11,18H,5-10,12H2,1H3
InChIKeyRXIGDJUDFCFNCZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide

N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide (PubChem CID 121186921) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
PubChem CID121186921
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C17H22N2O3S/c1-13-3-2-4-16(11-13)23(21,22)18-12-17(20)19-9-7-15(8-10-19)14-5-6-14/h2-4,11,18H,5-10,12H2,1H3
InChIKeyRXIGDJUDFCFNCZ-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide 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

3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592591
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55339531
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide (CID 121186921) is N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(=C3CC3)CC2)c1.
What is the InChIKey of N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The InChIKey is RXIGDJUDFCFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-3-2-4-16(11-13)23(21,22)18-12-17(20)19-9-7-15(8-10-19)14-5-6-14/h2-4,11,18H,5-10,12H2,1H3.
What are the key properties of N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide?
N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 121186921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).