N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H23N3O5S — CID 110367768

IUPACN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCc1ccc(N2CC(CNS(=O)(=O)c3c(C)noc3C)OCC2=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-4-14-5-7-15(8-6-14)21-10-16(25-11-17(21)22)9-19-27(23,24)18-12(2)20-26-13(18)3/h5-8,16,19H,4,9-11H2,1-3H3
InChIKeyXYDMVSSIGPLCBE-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.56
Rot. Bonds6

About N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110367768) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110367768
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCc1ccc(N2CC(CNS(=O)(=O)c3c(C)noc3C)OCC2=O)cc1
InChIInChI=1S/C18H23N3O5S/c1-4-14-5-7-15(8-6-14)21-10-16(25-11-17(21)22)9-19-27(23,24)18-12(2)20-26-13(18)3/h5-8,16,19H,4,9-11H2,1-3H3
InChIKeyXYDMVSSIGPLCBE-UHFFFAOYSA-N
XLogP1.56
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110367768) is N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCc1ccc(N2CC(CNS(=O)(=O)c3c(C)noc3C)OCC2=O)cc1.
What is the InChIKey of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is XYDMVSSIGPLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-4-14-5-7-15(8-6-14)21-10-16(25-11-17(21)22)9-19-27(23,24)18-12(2)20-26-13(18)3/h5-8,16,19H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110367768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).