3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide

C21H24N2O5S — CID 16673809

IUPAC3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCC3(c4ccccc4)CCOCC3)ccc21
InChIInChI=1S/C21H24N2O5S/c1-2-23-18-9-8-17(14-19(18)28-20(23)24)29(25,26)22-15-21(10-12-27-13-11-21)16-6-4-3-5-7-16/h3-9,14,22H,2,10-13,15H2,1H3
InChIKeyCMCQNCOVGQMLOZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.64
Rot. Bonds6

About 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide

3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 16673809) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
PubChem CID16673809
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NCC3(c4ccccc4)CCOCC3)ccc21
InChIInChI=1S/C21H24N2O5S/c1-2-23-18-9-8-17(14-19(18)28-20(23)24)29(25,26)22-15-21(10-12-27-13-11-21)16-6-4-3-5-7-16/h3-9,14,22H,2,10-13,15H2,1H3
InChIKeyCMCQNCOVGQMLOZ-UHFFFAOYSA-N
XLogP2.64
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
3-ethyl-N-(3-methoxypropyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71683958
N,3-bis(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 25048108
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
3-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648280
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
3-ethyl-2-oxo-N-(2-phenoxyethoxy)-1,3-benzoxazole-6-sulfonamide
CID 110311284

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide (CID 16673809) is 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NCC3(c4ccccc4)CCOCC3)ccc21.
What is the InChIKey of 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is CMCQNCOVGQMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-2-23-18-9-8-17(14-19(18)28-20(23)24)29(25,26)22-15-21(10-12-27-13-11-21)16-6-4-3-5-7-16/h3-9,14,22H,2,10-13,15H2,1H3.
What are the key properties of 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide?
3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 416.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-N-[(4-phenyloxan-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 16673809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).