N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide

C19H30N2O3S — CID 5073612

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C19H30N2O3S/c1-12-7-13(2)11-21(10-12)18(22)9-20-25(23,24)19-16(5)14(3)8-15(4)17(19)6/h8,12-13,20H,7,9-11H2,1-6H3
InChIKeyKNRXVXPQFBHJLN-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 5073612) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID5073612
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C19H30N2O3S/c1-12-7-13(2)11-21(10-12)18(22)9-20-25(23,24)19-16(5)14(3)8-15(4)17(19)6/h8,12-13,20H,7,9-11H2,1-6H3
InChIKeyKNRXVXPQFBHJLN-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,4,6-tetramethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 969832
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
N-[2-(dimethylamino)-2-phenylethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3319692
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6466704
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622
N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2530004
4-(5-Tert-butyl-2-methylphenyl)sulfonylpiperazin-2-one
CID 4881842
Cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2635741
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
Pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4806787

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 5073612) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is KNRXVXPQFBHJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-12-7-13(2)11-21(10-12)18(22)9-20-25(23,24)19-16(5)14(3)8-15(4)17(19)6/h8,12-13,20H,7,9-11H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 5073612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).