N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C14H17N3O3S — CID 62064796

IUPACN-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccccc2C(C)=O)nc1C
InChIInChI=1S/C14H17N3O3S/c1-4-17-9-14(15-11(17)3)21(19,20)16-13-8-6-5-7-12(13)10(2)18/h5-9,16H,4H2,1-3H3
InChIKeyNCKHRQGHRQSKNB-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.21
Rot. Bonds5

About N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 62064796) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID62064796
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccccc2C(C)=O)nc1C
InChIInChI=1S/C14H17N3O3S/c1-4-17-9-14(15-11(17)3)21(19,20)16-13-8-6-5-7-12(13)10(2)18/h5-9,16H,4H2,1-3H3
InChIKeyNCKHRQGHRQSKNB-UHFFFAOYSA-N
XLogP2.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743
N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
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N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62062819
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63563710
N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81273250
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63258965
N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122304210
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79806387
5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-1H-pyrazole-4-carbothioamide
CID 79500167
1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
CID 122303539
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 62064796) is N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccccc2C(C)=O)nc1C.
What is the InChIKey of N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is NCKHRQGHRQSKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-17-9-14(15-11(17)3)21(19,20)16-13-8-6-5-7-12(13)10(2)18/h5-9,16H,4H2,1-3H3.
What are the key properties of N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62064796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).