1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide

C14H17N5O4S — CID 99094526

IUPAC1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1noc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1
InChIInChI=1S/C14H17N5O4S/c1-8(13-15-9(2)16-23-13)17-24(21,22)10-5-6-11-12(7-10)19(4)14(20)18(11)3/h5-8,17H,1-4H3/t8-/m1/s1
InChIKeyHOVITYOHNIYWKL-MRVPVSSYSA-N
MW351.39 g/mol
LogP0.61
Rot. Bonds4

About 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide

1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide (PubChem CID 99094526) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide
PubChem CID99094526
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1noc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1
InChIInChI=1S/C14H17N5O4S/c1-8(13-15-9(2)16-23-13)17-24(21,22)10-5-6-11-12(7-10)19(4)14(20)18(11)3/h5-8,17H,1-4H3/t8-/m1/s1
InChIKeyHOVITYOHNIYWKL-MRVPVSSYSA-N
XLogP0.61
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166203944
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 125441330
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416382
4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416381
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 154763658
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 125444916
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310
methyl (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242314
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide (CID 99094526) is 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide is Cc1noc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1.
What is the InChIKey of 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is HOVITYOHNIYWKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-8(13-15-9(2)16-23-13)17-24(21,22)10-5-6-11-12(7-10)19(4)14(20)18(11)3/h5-8,17H,1-4H3/t8-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide?
1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 351.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 99094526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).