N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H21N3O3S — CID 112986593

IUPACN-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-22(17-8-6-5-7-9-17)18-12-10-16(11-13-18)21-26(23,24)19-14(2)20-25-15(19)3/h5-13,21H,4H2,1-3H3
InChIKeyREIHTLZETBTYEA-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.25
Rot. Bonds6

About N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 112986593) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID112986593
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN(c1ccccc1)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-22(17-8-6-5-7-9-17)18-12-10-16(11-13-18)21-26(23,24)19-14(2)20-25-15(19)3/h5-13,21H,4H2,1-3H3
InChIKeyREIHTLZETBTYEA-UHFFFAOYSA-N
XLogP4.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113046870
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012046

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 112986593) is N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCN(c1ccccc1)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is REIHTLZETBTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(17-8-6-5-7-9-17)18-12-10-16(11-13-18)21-26(23,24)19-14(2)20-25-15(19)3/h5-13,21H,4H2,1-3H3.
What are the key properties of N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 112986593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).