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

C20H21N3O4S — CID 3241358

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14-19(15(2)27-22-14)28(25,26)23-18-10-8-17(9-11-18)20(24)21-13-12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyFQGWRWNGEYKZMK-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.06
Rot. Bonds7

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 3241358) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID3241358
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14-19(15(2)27-22-14)28(25,26)23-18-10-8-17(9-11-18)20(24)21-13-12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyFQGWRWNGEYKZMK-UHFFFAOYSA-N
XLogP3.06
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
4-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571321
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012046
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573316

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 3241358) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is FQGWRWNGEYKZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-19(15(2)27-22-14)28(25,26)23-18-10-8-17(9-11-18)20(24)21-13-12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3241358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).