N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide

C17H18N2O3S — CID 110759810

IUPACN-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C17H18N2O3S/c1-3-19(12-14-7-5-4-6-8-14)23(20,21)15-9-10-16-17(11-15)22-13(2)18-16/h4-11H,3,12H2,1-2H3
InChIKeyIYFKLXFLWCEKAB-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide

N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759810) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
PubChem CID110759810
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C17H18N2O3S/c1-3-19(12-14-7-5-4-6-8-14)23(20,21)15-9-10-16-17(11-15)22-13(2)18-16/h4-11H,3,12H2,1-2H3
InChIKeyIYFKLXFLWCEKAB-UHFFFAOYSA-N
XLogP3.35
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765217
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
2-benzylsulfanyl-N,N-diethyl-1,3-benzoxazole-5-sulfonamide
CID 9322655
methyl (2R)-2-[benzyl-[(2-propylsulfanyl-1,3-benzoxazol-6-yl)sulfonyl]amino]-3-methylbutanoate
CID 91082789
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide
CID 110771979
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide (CID 110759810) is N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc2nc(C)oc2c1.
What is the InChIKey of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide?
The InChIKey is IYFKLXFLWCEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-19(12-14-7-5-4-6-8-14)23(20,21)15-9-10-16-17(11-15)22-13(2)18-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide?
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).