N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride

C16H23ClN2O3S2 — CID 119976009

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C16H22N2O3S2.ClH/c1-11(2)12-4-6-13(7-5-12)14(17)10-18-23(19,20)16-15(21-3)8-9-22-16;/h4-9,11,14,18H,10,17H2,1-3H3;1H
InChIKeyLGLMOSLFZITKSS-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.28
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride (PubChem CID 119976009) has the molecular formula C16H23ClN2O3S2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
PubChem CID119976009
Molecular FormulaC16H23ClN2O3S2
Molecular Weight390.96 g/mol
Exact Mass390.08
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C16H22N2O3S2.ClH/c1-11(2)12-4-6-13(7-5-12)14(17)10-18-23(19,20)16-15(21-3)8-9-22-16;/h4-9,11,14,18H,10,17H2,1-3H3;1H
InChIKeyLGLMOSLFZITKSS-UHFFFAOYSA-N
XLogP3.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopentyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 86780765
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119972633
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
2-[[(3-methoxythiophen-2-yl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660505
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide;hydrochloride
CID 119976053
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 119976054
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
N-(4-hydroxybut-2-ynyl)-3-methoxythiophene-2-sulfonamide
CID 126830217
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
methyl 5-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119976049

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride (CID 119976009) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride is COc1ccsc1S(=O)(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride?
The InChIKey is LGLMOSLFZITKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2.ClH/c1-11(2)12-4-6-13(7-5-12)14(17)10-18-23(19,20)16-15(21-3)8-9-22-16;/h4-9,11,14,18H,10,17H2,1-3H3;1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119976009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).