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

C19H21N3O3S — CID 112986500

IUPACN-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCc1ccccc1Nc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-15-7-5-6-8-18(15)20-16-9-11-17(12-10-16)22-26(23,24)19-13(2)21-25-14(19)3/h5-12,20,22H,4H2,1-3H3
InChIKeyNBQSUEXGTBZWCY-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.40
Rot. Bonds6

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

N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 112986500) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID112986500
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCc1ccccc1Nc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-15-7-5-6-8-18(15)20-16-9-11-17(12-10-16)22-26(23,24)19-13(2)21-25-14(19)3/h5-12,20,22H,4H2,1-3H3
InChIKeyNBQSUEXGTBZWCY-UHFFFAOYSA-N
XLogP4.40
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
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
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112988188
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 112986500) is N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCc1ccccc1Nc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NBQSUEXGTBZWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-15-7-5-6-8-18(15)20-16-9-11-17(12-10-16)22-26(23,24)19-13(2)21-25-14(19)3/h5-12,20,22H,4H2,1-3H3.
What are the key properties of N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 112986500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).