N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide

C15H18N4O5S — CID 50824524

IUPACN-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(CC)n1)C(=O)CO2
InChIInChI=1S/C15H18N4O5S/c1-3-14-17-13(18-24-14)8-19-11-7-10(25(21,22)16-4-2)5-6-12(11)23-9-15(19)20/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyWJNOXCBRPSFUKG-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.86
Rot. Bonds6

About N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide

N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide (PubChem CID 50824524) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide
PubChem CID50824524
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC NameN-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(CC)n1)C(=O)CO2
InChIInChI=1S/C15H18N4O5S/c1-3-14-17-13(18-24-14)8-19-11-7-10(25(21,22)16-4-2)5-6-12(11)23-9-15(19)20/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyWJNOXCBRPSFUKG-UHFFFAOYSA-N
XLogP0.86
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide (CID 50824524) is N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(CC)n1)C(=O)CO2.
What is the InChIKey of N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide?
The InChIKey is WJNOXCBRPSFUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-3-14-17-13(18-24-14)8-19-11-7-10(25(21,22)16-4-2)5-6-12(11)23-9-15(19)20/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide?
N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide has a molecular weight of 366.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 50824524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).