4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C18H28N2O3S — CID 112995708

IUPAC4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28N2O3S/c1-14-6-5-11-20(13-14)17(21)12-19-24(22,23)16-9-7-15(8-10-16)18(2,3)4/h7-10,14,19H,5-6,11-13H2,1-4H3
InChIKeyUEGVHZTXFGTZKF-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.52
Rot. Bonds4

About 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 112995708) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID112995708
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28N2O3S/c1-14-6-5-11-20(13-14)17(21)12-19-24(22,23)16-9-7-15(8-10-16)18(2,3)4/h7-10,14,19H,5-6,11-13H2,1-4H3
InChIKeyUEGVHZTXFGTZKF-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
4-tert-butyl-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119492656
4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995607
4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55518467
4-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
CID 110370945
N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18105340
N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990855
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828465
4-tert-butyl-N-[[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 42452992
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 112995708) is 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is CC1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is UEGVHZTXFGTZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-6-5-11-20(13-14)17(21)12-19-24(22,23)16-9-7-15(8-10-16)18(2,3)4/h7-10,14,19H,5-6,11-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 112995708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).