3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide

C14H17N3O4S — CID 9330058

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C14H17N3O4S/c1-4-15-14(18)11-6-5-7-12(8-11)17-22(19,20)13-9(2)16-21-10(13)3/h5-8,17H,4H2,1-3H3,(H,15,18)
InChIKeyMACJWCGUIZYVKB-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.84
Rot. Bonds5

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide (PubChem CID 9330058) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
PubChem CID9330058
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C14H17N3O4S/c1-4-15-14(18)11-6-5-7-12(8-11)17-22(19,20)13-9(2)16-21-10(13)3/h5-8,17H,4H2,1-3H3,(H,15,18)
InChIKeyMACJWCGUIZYVKB-UHFFFAOYSA-N
XLogP1.84
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112988188
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
3-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571403
N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295792
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 3241358
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
3-[[(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55965284
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46474322

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide (CID 9330058) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide?
The InChIKey is MACJWCGUIZYVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-4-15-14(18)11-6-5-7-12(8-11)17-22(19,20)13-9(2)16-21-10(13)3/h5-8,17H,4H2,1-3H3,(H,15,18).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide has a molecular weight of 323.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide is sourced from PubChem (CID 9330058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).