4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C20H26N2O3S2 — CID 31852345

IUPAC4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-17-6-3-4-14-22(17)20(23)16-8-10-19(11-9-16)27(24,25)21-13-12-18-7-5-15-26-18/h5,7-11,15,17,21H,2-4,6,12-14H2,1H3/t17-/m1/s1
InChIKeyVOINVJLSCCXFBO-QGZVFWFLSA-N
MW406.57 g/mol
LogP3.67
Rot. Bonds7

About 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 31852345) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID31852345
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-17-6-3-4-14-22(17)20(23)16-8-10-19(11-9-16)27(24,25)21-13-12-18-7-5-15-26-18/h5,7-11,15,17,21H,2-4,6,12-14H2,1H3/t17-/m1/s1
InChIKeyVOINVJLSCCXFBO-QGZVFWFLSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide 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

4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 119578855
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31884047
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 119512591
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 31852345) is 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is VOINVJLSCCXFBO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-2-17-6-3-4-14-22(17)20(23)16-8-10-19(11-9-16)27(24,25)21-13-12-18-7-5-15-26-18/h5,7-11,15,17,21H,2-4,6,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 406.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 31852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).