2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid

C11H19N3O4S — CID 79807174

IUPAC2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
SMILESCCn1cnc(S(=O)(=O)NC(CC)(CC)C(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-4-11(5-2,10(15)16)13-19(17,18)9-7-14(6-3)8-12-9/h7-8,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyCQAMCPTZBVAPGT-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.82
Rot. Bonds7

About 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid

2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 79807174) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
PubChem CID79807174
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
SMILESCCn1cnc(S(=O)(=O)NC(CC)(CC)C(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-4-11(5-2,10(15)16)13-19(17,18)9-7-14(6-3)8-12-9/h7-8,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyCQAMCPTZBVAPGT-UHFFFAOYSA-N
XLogP0.82
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 79373579
1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide
CID 103931311
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79806387
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185
1-ethyl-N-phenacylimidazole-4-sulfonamide
CID 79373290
(2S)-2-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylpentanoic acid
CID 79373361
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
1-ethyl-N-(2-hydroxy-2-phenylethyl)imidazole-4-sulfonamide
CID 79373825

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid (CID 79807174) is 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid is CCn1cnc(S(=O)(=O)NC(CC)(CC)C(=O)O)c1.
What is the InChIKey of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is CQAMCPTZBVAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-4-11(5-2,10(15)16)13-19(17,18)9-7-14(6-3)8-12-9/h7-8,13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid?
2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 289.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 79807174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).