N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide

C16H28N2O4S — CID 119983396

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)NC(CN)CC(C)C)cc1
InChIInChI=1S/C16H28N2O4S/c1-4-21-9-10-22-15-5-7-16(8-6-15)23(19,20)18-14(12-17)11-13(2)3/h5-8,13-14,18H,4,9-12,17H2,1-3H3
InChIKeyBWRBKJCZNQRZHP-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.75
Rot. Bonds11

About N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide

N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide (PubChem CID 119983396) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
PubChem CID119983396
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)NC(CN)CC(C)C)cc1
InChIInChI=1S/C16H28N2O4S/c1-4-21-9-10-22-15-5-7-16(8-6-15)23(19,20)18-14(12-17)11-13(2)3/h5-8,13-14,18H,4,9-12,17H2,1-3H3
InChIKeyBWRBKJCZNQRZHP-UHFFFAOYSA-N
XLogP1.75
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985
(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
CID 94799409
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-[3-(aminomethyl)pentan-3-yl]-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119981483
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
N-[2-(aminomethyl)cyclopentyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119985886
4-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]benzenesulfonate
CID 20595015

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide (CID 119983396) is N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide is CCOCCOc1ccc(S(=O)(=O)NC(CN)CC(C)C)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide?
The InChIKey is BWRBKJCZNQRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-4-21-9-10-22-15-5-7-16(8-6-15)23(19,20)18-14(12-17)11-13(2)3/h5-8,13-14,18H,4,9-12,17H2,1-3H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 1.75, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 119983396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).