2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone

C15H19N3O4S — CID 935074

IUPAC2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O4S/c1-2-23(20,21)15-16-12-5-3-4-6-13(12)18(15)11-14(19)17-7-9-22-10-8-17/h3-6H,2,7-11H2,1H3
InChIKeySYUHXLSLJMXUKP-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone

2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 935074) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID935074
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O4S/c1-2-23(20,21)15-16-12-5-3-4-6-13(12)18(15)11-14(19)17-7-9-22-10-8-17/h3-6H,2,7-11H2,1H3
InChIKeySYUHXLSLJMXUKP-UHFFFAOYSA-N
XLogP0.69
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone (CID 935074) is 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone is CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is SYUHXLSLJMXUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-23(20,21)15-16-12-5-3-4-6-13(12)18(15)11-14(19)17-7-9-22-10-8-17/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 337.40 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylbenzimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 935074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).