4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide

C11H19N3O3S — CID 75381202

IUPAC4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide
SMILESCCc1cnc(S(=O)(=O)CCCC(=O)N(C)C)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-4-9-8-12-11(13-9)18(16,17)7-5-6-10(15)14(2)3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyBJDSEENWYCFINO-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.61
Rot. Bonds6

About 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide

4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide (PubChem CID 75381202) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide
PubChem CID75381202
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide
SMILESCCc1cnc(S(=O)(=O)CCCC(=O)N(C)C)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-4-9-8-12-11(13-9)18(16,17)7-5-6-10(15)14(2)3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyBJDSEENWYCFINO-UHFFFAOYSA-N
XLogP0.61
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide (CID 75381202) is 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide is CCc1cnc(S(=O)(=O)CCCC(=O)N(C)C)[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide?
The InChIKey is BJDSEENWYCFINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-4-9-8-12-11(13-9)18(16,17)7-5-6-10(15)14(2)3/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide?
4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide has a molecular weight of 273.36 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1H-imidazol-2-yl)sulfonyl]-N,N-dimethylbutanamide is sourced from PubChem (CID 75381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).