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

C19H30N2O3S — CID 112995607

IUPAC4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCC1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3S/c1-5-16-8-6-7-13-21(16)18(22)14-20-25(23,24)17-11-9-15(10-12-17)19(2,3)4/h9-12,16,20H,5-8,13-14H2,1-4H3
InChIKeyBFPCFWBNSCPEAU-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.05
Rot. Bonds5

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

4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 112995607) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID112995607
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCC1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3S/c1-5-16-8-6-7-13-21(16)18(22)14-20-25(23,24)17-11-9-15(10-12-17)19(2,3)4/h9-12,16,20H,5-8,13-14H2,1-4H3
InChIKeyBFPCFWBNSCPEAU-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 78770478
N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
CID 154757584
N-[4-(2-ethylpiperidin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86909188
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 112995607) is 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is CCC1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is BFPCFWBNSCPEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-16-8-6-7-13-21(16)18(22)14-20-25(23,24)17-11-9-15(10-12-17)19(2,3)4/h9-12,16,20H,5-8,13-14H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 3.05, 5 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-(2-ethylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 112995607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).