N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide

C15H15BrN4O5S — CID 166341396

IUPACN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C15H15BrN4O5S/c1-4-10-8(7-25-17-10)14(21)18-26(23,24)13-6-12-11(5-9(13)16)19(2)15(22)20(12)3/h5-7H,4H2,1-3H3,(H,18,21)
InChIKeyGXTWEYAWUGFQJI-UHFFFAOYSA-N
MW443.28 g/mol
LogP1.31
Rot. Bonds4

About N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide

N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 166341396) has the molecular formula C15H15BrN4O5S and a molecular weight of 443.28 g/mol. Its IUPAC name is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide
PubChem CID166341396
Molecular FormulaC15H15BrN4O5S
Molecular Weight443.28 g/mol
Exact Mass441.99
IUPAC NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C15H15BrN4O5S/c1-4-10-8(7-25-17-10)14(21)18-26(23,24)13-6-12-11(5-9(13)16)19(2)15(22)20(12)3/h5-7H,4H2,1-3H3,(H,18,21)
InChIKeyGXTWEYAWUGFQJI-UHFFFAOYSA-N
XLogP1.31
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide (CID 166341396) is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C.
What is the InChIKey of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GXTWEYAWUGFQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O5S/c1-4-10-8(7-25-17-10)14(21)18-26(23,24)13-6-12-11(5-9(13)16)19(2)15(22)20(12)3/h5-7H,4H2,1-3H3,(H,18,21).
What are the key properties of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide?
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 443.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166341396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).