N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H23N3O6S — CID 8501995

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C18H23N3O6S/c1-4-26-16-6-5-14(28(23,24)21-7-9-25-10-8-21)11-15(16)19-18(22)17-12(2)20-27-13(17)3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyJMQAMORLVNOCPC-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.96
Rot. Bonds6

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 8501995) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID8501995
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C18H23N3O6S/c1-4-26-16-6-5-14(28(23,24)21-7-9-25-10-8-21)11-15(16)19-18(22)17-12(2)20-27-13(17)3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyJMQAMORLVNOCPC-UHFFFAOYSA-N
XLogP1.96
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530694
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31690064
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55864762

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 8501995) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(C)noc1C.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is JMQAMORLVNOCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-4-26-16-6-5-14(28(23,24)21-7-9-25-10-8-21)11-15(16)19-18(22)17-12(2)20-27-13(17)3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8501995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).