2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide

C12H21N3O3S — CID 122144711

IUPAC2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide
SMILESCCc1cnc(S(=O)(=O)C(C)C(=O)NCC(C)C)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-5-10-7-14-12(15-10)19(17,18)9(4)11(16)13-6-8(2)3/h7-9H,5-6H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyXQDYOQTZPDRMCT-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.91
Rot. Bonds6

About 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide

2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide (PubChem CID 122144711) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide
PubChem CID122144711
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide
SMILESCCc1cnc(S(=O)(=O)C(C)C(=O)NCC(C)C)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-5-10-7-14-12(15-10)19(17,18)9(4)11(16)13-6-8(2)3/h7-9H,5-6H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyXQDYOQTZPDRMCT-UHFFFAOYSA-N
XLogP0.91
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide (CID 122144711) is 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide is CCc1cnc(S(=O)(=O)C(C)C(=O)NCC(C)C)[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide?
The InChIKey is XQDYOQTZPDRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-10-7-14-12(15-10)19(17,18)9(4)11(16)13-6-8(2)3/h7-9H,5-6H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide?
2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide has a molecular weight of 287.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 122144711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).