[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium

C19H33N4O4S+ — CID 9084119

IUPAC[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(C)(C)C[NH+](C)C)cc1C
InChIInChI=1S/C19H32N4O4S/c1-14-7-8-16(9-15(14)2)28(26,27)22-11-18(25)20-10-17(24)21-12-19(3,4)13-23(5)6/h7-9,22H,10-13H2,1-6H3,(H,20,25)(H,21,24)/p+1
InChIKeyMPQNCFJEAYNPGX-UHFFFAOYSA-O
MW413.56 g/mol
LogP-1.02
Rot. Bonds10

About [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium

[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium (PubChem CID 9084119) has the molecular formula C19H33N4O4S+ and a molecular weight of 413.56 g/mol. Its IUPAC name is [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium
PubChem CID9084119
Molecular FormulaC19H33N4O4S+
Molecular Weight413.56 g/mol
Exact Mass413.22
IUPAC Name[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(C)(C)C[NH+](C)C)cc1C
InChIInChI=1S/C19H32N4O4S/c1-14-7-8-16(9-15(14)2)28(26,27)22-11-18(25)20-10-17(24)21-12-19(3,4)13-23(5)6/h7-9,22H,10-13H2,1-6H3,(H,20,25)(H,21,24)/p+1
InChIKeyMPQNCFJEAYNPGX-UHFFFAOYSA-O
XLogP-1.02
TPSA108.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium with MolForge

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Related Compounds

2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 7979655
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2426820
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112996402
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 146024065
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 51102093
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 4968832

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The IUPAC name of [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium (CID 9084119) is [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium.
What is the SMILES notation for [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The canonical SMILES for [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(C)(C)C[NH+](C)C)cc1C.
What is the InChIKey of [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The InChIKey is MPQNCFJEAYNPGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N4O4S/c1-14-7-8-16(9-15(14)2)28(26,27)22-11-18(25)20-10-17(24)21-12-19(3,4)13-23(5)6/h7-9,22H,10-13H2,1-6H3,(H,20,25)(H,21,24)/p+1.
What are the key properties of [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium?
[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium has a molecular weight of 413.56 g/mol, XLogP of -1.02, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium is sourced from PubChem (CID 9084119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).