4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide

C19H28N2O4S — CID 71907693

IUPAC4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-19(2,3)16-9-12-21(13-10-16)18(22)15-5-7-17(8-6-15)26(23,24)20-11-14-25-4/h5-9,20H,10-14H2,1-4H3
InChIKeyBGBLYOJGERLOKX-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.43
Rot. Bonds6

About 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide

4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 71907693) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID71907693
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-19(2,3)16-9-12-21(13-10-16)18(22)15-5-7-17(8-6-15)26(23,24)20-11-14-25-4/h5-9,20H,10-14H2,1-4H3
InChIKeyBGBLYOJGERLOKX-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 119636884
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 24584236
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 119522966
N-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956569
1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355684
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 71907693) is 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is BGBLYOJGERLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-19(2,3)16-9-12-21(13-10-16)18(22)15-5-7-17(8-6-15)26(23,24)20-11-14-25-4/h5-9,20H,10-14H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide?
4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 71907693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).