2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid

C15H18N2O5S — CID 3580044

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid
SMILESCCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H18N2O5S/c1-4-12-5-7-13(8-6-12)17(9-14(18)19)23(20,21)15-10(2)16-22-11(15)3/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyXPGZVTGDRHJIFV-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.13
Rot. Bonds6

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid (PubChem CID 3580044) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid
PubChem CID3580044
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid
SMILESCCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C15H18N2O5S/c1-4-12-5-7-13(8-6-12)17(9-14(18)19)23(20,21)15-10(2)16-22-11(15)3/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyXPGZVTGDRHJIFV-UHFFFAOYSA-N
XLogP2.13
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide
CID 7436939
ethyl 4-[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methylphenyl)glycyl]piperazine-1-carboxylate
CID 3235694
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(4-ethylphenyl)glycinamide
CID 3241984
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716
N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
CID 4621413
(E)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
CID 5308093
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide
CID 5308565
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 9550444

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid (CID 3580044) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid is CCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid?
The InChIKey is XPGZVTGDRHJIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-4-12-5-7-13(8-6-12)17(9-14(18)19)23(20,21)15-10(2)16-22-11(15)3/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid has a molecular weight of 338.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetic acid is sourced from PubChem (CID 3580044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).