N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride

C17H31ClN2O3S — CID 120711916

IUPACN-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.Cl
InChIInChI=1S/C17H30N2O3S.ClH/c1-7-17(18,8-2)11-19-23(20,21)16-10-14(12(3)4)15(22-6)9-13(16)5;/h9-10,12,19H,7-8,11,18H2,1-6H3;1H
InChIKeyIFOBRIQKNHTRDU-UHFFFAOYSA-N
MW378.97 g/mol
LogP3.34
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 120711916) has the molecular formula C17H31ClN2O3S and a molecular weight of 378.97 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID120711916
Molecular FormulaC17H31ClN2O3S
Molecular Weight378.97 g/mol
Exact Mass378.17
IUPAC NameN-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.Cl
InChIInChI=1S/C17H30N2O3S.ClH/c1-7-17(18,8-2)11-19-23(20,21)16-10-14(12(3)4)15(22-6)9-13(16)5;/h9-10,12,19H,7-8,11,18H2,1-6H3;1H
InChIKeyIFOBRIQKNHTRDU-UHFFFAOYSA-N
XLogP3.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
4-methoxy-2-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
N-[2-(4-tert-butylphenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100561505
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 100557539
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride (CID 120711916) is N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is IFOBRIQKNHTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S.ClH/c1-7-17(18,8-2)11-19-23(20,21)16-10-14(12(3)4)15(22-6)9-13(16)5;/h9-10,12,19H,7-8,11,18H2,1-6H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 378.97 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).