N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C20H26N2O3S2 — CID 28631738

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O3S2/c1-14-6-7-18(15(2)13-14)16(3)21-20(23)17-8-10-22(11-9-17)27(24,25)19-5-4-12-26-19/h4-7,12-13,16-17H,8-11H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyQEVCYNPHXBNIFS-INIZCTEOSA-N
MW406.57 g/mol
LogP3.64
Rot. Bonds5

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 28631738) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID28631738
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O3S2/c1-14-6-7-18(15(2)13-14)16(3)21-20(23)17-8-10-22(11-9-17)27(24,25)19-5-4-12-26-19/h4-7,12-13,16-17H,8-11H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyQEVCYNPHXBNIFS-INIZCTEOSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-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

N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27883270
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26468180
N-(2-hydroxy-4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9495613
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28565359
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46460923

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 28631738) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is QEVCYNPHXBNIFS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-14-6-7-18(15(2)13-14)16(3)21-20(23)17-8-10-22(11-9-17)27(24,25)19-5-4-12-26-19/h4-7,12-13,16-17H,8-11H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 28631738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).