N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide

C17H24ClN3O3S — CID 128788795

IUPACN-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O3S/c1-2-13-4-5-14(12-16(13)18)19-17(22)20-9-6-15(7-10-20)21-8-3-11-25(21,23)24/h4-5,12,15H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyDLUIOPXHAQPMEG-UHFFFAOYSA-N
MW385.92 g/mol
LogP2.93
Rot. Bonds3

About N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide

N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide (PubChem CID 128788795) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
PubChem CID128788795
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC NameN-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O3S/c1-2-13-4-5-14(12-16(13)18)19-17(22)20-9-6-15(7-10-20)21-8-3-11-25(21,23)24/h4-5,12,15H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyDLUIOPXHAQPMEG-UHFFFAOYSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)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

Related Compounds

(3S,4S)-1-[(3-chloro-4-ethylphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122093338
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide
CID 112505677
N-(3,4-dichlorophenyl)-4-[(2S)-2-(ethylsulfanylmethyl)pyrrolidin-1-yl]piperidine-1-carboxamide
CID 99874905
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-(3-chloro-4-methylphenyl)-4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carboxamide
CID 55971238
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide (CID 128788795) is N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The InChIKey is DLUIOPXHAQPMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c1-2-13-4-5-14(12-16(13)18)19-17(22)20-9-6-15(7-10-20)21-8-3-11-25(21,23)24/h4-5,12,15H,2-3,6-11H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide has a molecular weight of 385.92 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128788795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).