2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C15H19N3O3S — CID 51102554

IUPAC2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H19N3O3S/c1-3-22(20,21)13-7-5-4-6-12(13)15(19)17-9-8-14-16-10-11-18(14)2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyWAJJEIVEZQVGLJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.19
Rot. Bonds6

About 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 51102554) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID51102554
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H19N3O3S/c1-3-22(20,21)13-7-5-4-6-12(13)15(19)17-9-8-14-16-10-11-18(14)2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyWAJJEIVEZQVGLJ-UHFFFAOYSA-N
XLogP1.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 91834351
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
N-[2-(1-methylimidazol-2-yl)ethyl]-1H-indazole-3-carboxamide
CID 62040532
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
4-(ethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62173804
2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24621136
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 52630971
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 51102554) is 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)NCCc1nccn1C.
What is the InChIKey of 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is WAJJEIVEZQVGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-22(20,21)13-7-5-4-6-12(13)15(19)17-9-8-14-16-10-11-18(14)2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 51102554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).