N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide

C18H20N2O5S — CID 146288847

IUPACN-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCOc1ccc2c(NS(=O)(=O)c3cc(CC)ccc3OC)noc2c1
InChIInChI=1S/C18H20N2O5S/c1-4-12-6-9-15(23-3)17(10-12)26(21,22)20-18-14-8-7-13(24-5-2)11-16(14)25-19-18/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyDDYZGVZBUYMJOY-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.60
Rot. Bonds7

About N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide

N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide (PubChem CID 146288847) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide
PubChem CID146288847
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide
SMILESCCOc1ccc2c(NS(=O)(=O)c3cc(CC)ccc3OC)noc2c1
InChIInChI=1S/C18H20N2O5S/c1-4-12-6-9-15(23-3)17(10-12)26(21,22)20-18-14-8-7-13(24-5-2)11-16(14)25-19-18/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyDDYZGVZBUYMJOY-UHFFFAOYSA-N
XLogP3.60
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 146289029
5-cyclopropyl-2-methoxy-N-[6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411196
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
N-[6-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-ylmethyl)-4-methoxy-1,2-benzoxazol-3-yl]-5-ethyl-2-methoxybenzenesulfonamide
CID 170149960
N-[2-[[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]-4-methoxy-1,2-benzoxazol-6-yl]methoxy]ethyl]prop-2-ynamide
CID 169078811
6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
CID 167940139
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-4-ethoxy-2-methylbenzenesulfonamide
CID 138014337
6-ethoxy-3-methyl-1,2-benzoxazole
CID 119094129
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
N-(7-bromo-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide;5-ethyl-2-methoxy-N-(7-pyrimidin-5-yl-1,2-benzoxazol-3-yl)benzenesulfonamide;methane;pyrimidin-5-ylboronic acid
CID 160794421
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide (CID 146288847) is N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide is CCOc1ccc2c(NS(=O)(=O)c3cc(CC)ccc3OC)noc2c1.
What is the InChIKey of N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is DDYZGVZBUYMJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-12-6-9-15(23-3)17(10-12)26(21,22)20-18-14-8-7-13(24-5-2)11-16(14)25-19-18/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide?
N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 146288847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).