N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide

C20H26N2O3S2 — CID 9162686

IUPACN-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)N2CCCCC2)c2cccs2)cc1C
InChIInChI=1S/C20H26N2O3S2/c1-15-8-9-17(13-16(15)2)27(24,25)19(18-7-6-12-26-18)14-21-20(23)22-10-4-3-5-11-22/h6-9,12-13,19H,3-5,10-11,14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeySAKCIQISZRZJKW-LJQANCHMSA-N
MW406.57 g/mol
LogP4.08
Rot. Bonds5

About N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide

N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide (PubChem CID 9162686) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide
PubChem CID9162686
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)N2CCCCC2)c2cccs2)cc1C
InChIInChI=1S/C20H26N2O3S2/c1-15-8-9-17(13-16(15)2)27(24,25)19(18-7-6-12-26-18)14-21-20(23)22-10-4-3-5-11-22/h6-9,12-13,19H,3-5,10-11,14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeySAKCIQISZRZJKW-LJQANCHMSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9162725
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]propane-1-sulfonamide
CID 9162464
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 20962872
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 20962840
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N'-cyclohexyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584000
N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 27505935
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 40817881
N-(3-methylbutyl)-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22583997
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-thiophen-2-ylethyl]-2-chloroacetamide
CID 9162432
N'-cyclopentyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 7268492
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 9167865

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide (CID 9162686) is N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide is Cc1ccc(S(=O)(=O)[C@H](CNC(=O)N2CCCCC2)c2cccs2)cc1C.
What is the InChIKey of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide?
The InChIKey is SAKCIQISZRZJKW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15-8-9-17(13-16(15)2)27(24,25)19(18-7-6-12-26-18)14-21-20(23)22-10-4-3-5-11-22/h6-9,12-13,19H,3-5,10-11,14H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide?
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 9162686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).